data_2n77_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 2n77 _Structure_validation_residue.Date_analyzed 2016-11-25 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 ' 81' ' ' SER . . . . . . . . . . . . . 67.5 m . . . . . 0 N--CA 1.461 0.125 0 CA-C-O 120.919 0.39 . . . . 0.0 110.339 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -57.41 -37.68 73.13 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 -179.541 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 22.5 pt-20 -62.5 -32.55 73.48 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.35 -0.841 . . . . 0.0 110.468 179.37 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -63.76 -42.69 97.77 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.489 -179.719 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 4.4 mm -67.69 -39.33 81.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.262 179.248 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -61.62 -37.01 82.4 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.075 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 53.9 tp10 -55.32 -40.8 71.6 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 108.763 -0.829 . . . . 0.0 108.763 -179.694 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -59.53 -33.42 71.36 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.548 179.323 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 74.7 m-85 -81.94 -41.27 21.07 Favored 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 120.658 -0.417 . . . . 0.0 110.552 178.8 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 95.0 mtt-85 -53.17 -23.64 8.87 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.672 -178.621 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 54.6 t -60.43 -38.15 76.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.105 178.755 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 18.9 m-85 -87.36 -19.69 27.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.091 -179.386 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 58.0 t0 -88.82 73.26 8.46 Favored 'General case' 0 N--CA 1.464 0.262 0 N-CA-C 109.915 -0.402 . . . . 0.0 109.915 179.22 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 65.1 pttt -70.69 -22.53 62.46 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.943 0.402 . . . . 0.0 111.396 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -76.72 -25.8 53.96 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.801 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 67.57 30.32 74.8 Favored Glycine 0 CA--C 1.526 0.776 0 N-CA-C 111.044 -0.822 . . . . 0.0 111.044 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . 0.748 HD21 ' H ' ' A' ' 99' ' ' TYR . 0.3 OUTLIER -98.61 -1.69 40.3 Favored 'General case' 0 C--N 1.33 -0.239 0 C-N-CA 120.874 -0.33 . . . . 0.0 110.925 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 94.62 8.1 59.79 Favored Glycine 0 CA--C 1.527 0.795 0 N-CA-C 111.312 -0.715 . . . . 0.0 111.312 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.748 ' H ' HD21 ' A' ' 97' ' ' ASN . 18.3 m-85 -135.52 156.9 48.15 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.983 0.42 . . . . 0.0 111.18 -179.738 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -130.42 145.5 35.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 178.187 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 41.3 t -58.84 134.75 57.17 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 119.69 -0.804 . . . . 0.0 109.763 -179.789 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -66.22 -37.5 85.69 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.849 0.357 . . . . 0.0 111.183 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -61.01 -42.14 97.88 Favored 'General case' 0 CA--C 1.535 0.38 0 N-CA-C 112.839 0.681 . . . . 0.0 112.839 -178.193 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -67.21 -26.36 66.57 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.436 -0.506 . . . . 0.0 110.791 -178.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 48.1 tp -61.96 -45.96 91.4 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.141 -0.688 . . . . 0.0 109.141 179.755 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 8.7 tmm_? -57.73 -50.74 72.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.221 -179.131 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . 0.624 ' NE2' HD21 ' A' ' 111' ' ' ASN . 82.8 t60 -61.43 -43.2 99.28 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.041 0.448 . . . . 0.0 110.518 179.787 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 67.2 t -62.84 -38.43 81.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 115.543 -0.753 . . . . 0.0 111.508 -179.792 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.63 -18.99 46.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.596 -179.077 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 81.0 p -108.57 -18.94 13.6 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.685 -0.406 . . . . 0.0 111.186 -179.794 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . 0.624 HD21 ' NE2' ' A' ' 107' ' ' HIS . 55.9 t30 -107.5 -38.71 5.84 Favored 'General case' 0 CA--C 1.533 0.294 0 N-CA-C 112.68 0.622 . . . . 0.0 112.68 -178.389 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . 0.474 ' O ' ' O ' ' A' ' 113' ' ' GLY . 87.8 mt -103.59 139.85 38.33 Favored 'General case' 0 N--CA 1.468 0.435 0 N-CA-C 112.083 0.401 . . . . 0.0 112.083 -178.635 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . 0.573 ' O ' ' C ' ' A' ' 114' ' ' GLU . . . 56.12 128.79 0.01 OUTLIER Glycine 0 CA--C 1.524 0.637 0 CA-C-N 115.419 -0.81 . . . . 0.0 111.558 179.019 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . 0.573 ' C ' ' O ' ' A' ' 113' ' ' GLY . 98.2 mt-10 7.92 93.99 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.737 0 O-C-N 124.111 0.536 . . . . 0.0 110.884 179.542 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -50.57 136.61 20.93 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.145 -0.48 . . . . 0.0 112.12 -176.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -92.61 155.78 17.53 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 115.659 -0.7 . . . . 0.0 109.456 178.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 65.6 p -85.44 167.37 15.56 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.848 -0.427 . . . . 0.0 109.848 179.164 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . 0.536 ' OD1' ' N ' ' A' ' 119' ' ' GLU . 40.4 p-10 -58.26 -40.41 81.73 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.582 -0.447 . . . . 0.0 110.546 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . 0.536 ' N ' ' OD1' ' A' ' 118' ' ' ASP . 98.5 mt-10 -61.64 -40.41 94.8 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.293 -179.807 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 26.7 mm-40 -70.6 -40.83 72.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.256 178.553 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 63.7 t -65.77 -44.41 93.1 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.21 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.908 179.58 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -59.3 -43.9 92.59 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 120.888 -0.325 . . . . 0.0 110.792 -179.226 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 53.9 tp10 -61.55 -39.11 89.93 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 179.443 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 124' ' ' MET . . . . . 0.597 ' SD ' ' CE1' ' B' ' 50' ' ' PHE . 35.0 mmm -65.74 -40.83 92.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.545 179.287 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 1.2 mp -63.61 -40.71 90.07 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.302 -179.361 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -63.31 -27.73 69.53 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.085 0.469 . . . . 0.0 109.955 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -97.12 -21.66 17.21 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.968 179.174 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . 0.526 ' O ' ' CB ' ' A' ' 129' ' ' ASP . . . -63.33 -44.61 94.42 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.583 -0.281 . . . . 0.0 111.749 -179.395 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . 0.526 ' CB ' ' O ' ' A' ' 128' ' ' ALA . 11.3 t70 142.6 -97.13 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.968 0 O-C-N 124.165 0.915 . . . . 0.0 110.809 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 130' ' ' ILE . . . . . 0.503 ' N ' ' CG ' ' A' ' 129' ' ' ASP . 65.9 mt . . . . . 0 C--N 1.326 -0.421 0 CA-C-N 114.941 -1.027 . . . . 0.0 111.62 -178.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.963 0 N-CA-C 111.939 -0.465 . . . . 0.0 111.939 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -124.56 155.64 38.7 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-O 120.946 0.403 . . . . 0.0 110.633 179.466 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 25.1 t -126.78 135.61 63.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.744 -179.341 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 7.3 p-10 -95.42 109.03 21.26 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.831 -0.622 . . . . 0.0 109.351 178.733 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 35.6 p90 -58.53 -11.72 3.26 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.507 -0.477 . . . . 0.0 111.453 -178.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -59.07 -50.0 75.74 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 119.992 -0.683 . . . . 0.0 109.766 -179.748 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 52.5 tp10 -59.45 -41.94 90.79 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 116.689 -0.232 . . . . 0.0 110.929 -179.201 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -60.33 -41.14 92.95 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.271 -0.572 . . . . 0.0 109.731 179.208 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 51.8 t -62.92 -42.67 97.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.495 178.767 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 24.2 tt0 -59.89 -44.13 94.4 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 120.436 -0.506 . . . . 0.0 109.878 -179.618 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 73.6 mtm -60.11 -43.57 95.51 Favored 'General case' 0 C--N 1.332 -0.164 0 N-CA-C 108.359 -0.978 . . . . 0.0 108.359 178.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 1.1 mpp? . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.472 -179.991 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.563 0.221 . . . . 0.0 111.392 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -59.3 119.59 40.49 Favored Pre-proline 0 CA--C 1.54 0.566 0 C-N-CA 120.788 -0.365 . . . . 0.0 110.743 -178.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_exo -52.99 -30.28 48.01 Favored 'Trans proline' 0 N--CA 1.499 1.814 0 C-N-CA 121.925 1.75 . . . . 0.0 112.517 178.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 53.1 tt0 -59.43 -43.12 93.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.768 -179.224 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 96.8 m -62.02 -45.71 92.38 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.569 -0.452 . . . . 0.0 110.298 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -63.56 -41.61 98.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.459 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 23.9 mmt85 -64.99 -39.49 93.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.469 179.794 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -61.35 -40.51 94.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.488 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -61.61 -41.0 96.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.294 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 60.5 t -63.31 -44.19 98.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.417 -179.72 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -60.39 -45.05 94.96 Favored 'General case' 0 C--N 1.331 -0.199 0 C-N-CA 120.865 -0.334 . . . . 0.0 111.211 -178.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 97.7 mt -64.07 -46.67 93.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-O 121.081 0.467 . . . . 0.0 110.133 179.575 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 47' ' ' GLN . . . . . 0.447 ' NE2' ' O ' ' A' ' 113' ' ' GLY . 95.9 mt-30 -63.99 -42.01 97.33 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.663 -0.699 . . . . 0.0 111.084 -179.591 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 48.1 t -61.6 -45.92 92.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.122 0.487 . . . . 0.0 109.697 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 72.1 mm-40 -65.39 -39.71 92.57 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.418 179.284 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 50' ' ' PHE . . . . . 0.597 ' CE1' ' SD ' ' A' ' 124' ' ' MET . 46.7 t80 -60.09 -47.77 84.51 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.718 179.757 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 13.8 tpp85 -59.89 -43.7 94.64 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.103 -179.765 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 1.2 mptp? -66.0 -36.41 83.21 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.869 0.366 . . . . 0.0 110.462 179.513 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 53' ' ' PHE . . . . . . . . . . . . . 93.8 t80 -59.32 -46.59 88.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.382 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 30.2 mm100 -61.62 -40.5 95.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.601 -179.584 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 68.4 mttm . . . . . 0 C--N 1.33 -0.274 0 C-N-CA 120.908 -0.317 . . . . 0.0 110.869 179.938 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 69.9 m . . . . . 0 N--CA 1.46 0.067 0 CA-C-O 120.654 0.264 . . . . 0.0 110.942 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -59.4 -37.89 79.18 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.989 -0.745 . . . . 0.0 108.989 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 2.5 pp20? -62.97 -30.44 71.59 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.189 -0.914 . . . . 0.0 110.359 179.38 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 53.4 tp10 -70.68 -41.58 71.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.016 -179.739 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 38.9 mm -68.42 -46.55 80.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 N-CA-C 112.374 0.509 . . . . 0.0 112.374 -179.177 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 20.5 ptp180 -62.99 -27.47 69.43 Favored 'General case' 0 CA--C 1.521 -0.159 0 C-N-CA 120.482 -0.487 . . . . 0.0 110.585 -179.358 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -59.4 -40.73 87.54 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 179.51 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.18 -32.71 72.45 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.934 179.539 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 84.4 m-85 -81.38 -41.58 21.75 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 120.472 -0.491 . . . . 0.0 110.447 178.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -46.31 -28.46 1.31 Allowed 'General case' 0 N--CA 1.465 0.292 0 CA-C-O 120.853 0.359 . . . . 0.0 110.404 -179.72 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 55.2 t -61.21 -39.03 81.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.952 179.609 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 9.0 m-85 -89.94 -24.71 21.22 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.994 -179.232 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.447 ' OD1' ' O ' ' A' ' 99' ' ' TYR . 38.5 t70 -88.22 67.37 8.75 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.973 0.416 . . . . 0.0 110.121 178.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 65.3 pttt -73.51 -21.66 60.34 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.475 179.81 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -73.56 -25.85 60.57 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.518 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 69.18 24.8 75.85 Favored Glycine 0 CA--C 1.526 0.775 0 N-CA-C 111.139 -0.784 . . . . 0.0 111.139 179.804 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . 0.74 HD21 ' H ' ' A' ' 99' ' ' TYR . 0.3 OUTLIER -93.21 -6.81 46.88 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 121.018 -0.273 . . . . 0.0 110.833 -179.852 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . 0.521 ' O ' ' ND2' ' A' ' 137' ' ' ASN . . . 95.25 10.4 57.2 Favored Glycine 0 CA--C 1.53 0.986 0 N-CA-C 111.162 -0.775 . . . . 0.0 111.162 -179.715 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.74 ' H ' HD21 ' A' ' 97' ' ' ASN . 15.2 m-85 -135.13 155.7 50.27 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.361 0.6 . . . . 0.0 112.239 -179.251 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -129.75 143.47 41.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 N-CA-C 107.457 -1.312 . . . . 0.0 107.457 177.427 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 73.4 m -60.06 132.44 53.95 Favored 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 119.627 -0.829 . . . . 0.0 109.897 -179.326 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -62.32 -39.39 92.91 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 121.061 0.457 . . . . 0.0 110.332 179.812 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -58.31 -42.45 86.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.633 -179.441 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 -61.2 -41.32 96.63 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.93 178.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 2.6 tt -59.42 -48.71 80.62 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.696 -0.401 . . . . 0.0 110.988 -178.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 2.9 tmt_? -57.74 -50.06 74.49 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.289 -0.564 . . . . 0.0 110.501 -179.227 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . 0.516 ' O ' ' N ' ' A' ' 111' ' ' ASN . 86.2 t60 -60.96 -47.56 85.88 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.017 0.437 . . . . 0.0 110.827 -179.76 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 50.1 t -62.03 -37.62 78.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 115.597 -0.729 . . . . 0.0 111.202 179.809 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.5 -29.97 64.1 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.616 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 69.4 p -104.3 -16.52 15.14 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.559 -0.456 . . . . 0.0 112.229 -178.496 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . 0.516 ' N ' ' O ' ' A' ' 107' ' ' HIS . 19.1 t-20 -104.11 -45.6 4.67 Favored 'General case' 0 N--CA 1.467 0.376 0 N-CA-C 112.755 0.65 . . . . 0.0 112.755 -178.401 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . 0.455 ' O ' ' O ' ' A' ' 113' ' ' GLY . 81.1 mt -100.82 141.49 33.63 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 120.919 0.39 . . . . 0.0 111.573 -178.471 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . 0.554 ' O ' ' C ' ' A' ' 114' ' ' GLU . . . 58.61 129.2 0.01 OUTLIER Glycine 0 CA--C 1.523 0.537 0 N-CA-C 110.867 -0.893 . . . . 0.0 110.867 179.391 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . 0.554 ' C ' ' O ' ' A' ' 113' ' ' GLY . 78.7 mm-40 8.82 87.38 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.629 0 O-C-N 124.195 0.585 . . . . 0.0 111.355 179.687 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 52.5 mtpt -45.04 129.5 7.52 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.597 -177.646 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -87.06 157.87 19.33 Favored 'General case' 0 N--CA 1.462 0.169 0 N-CA-C 108.486 -0.931 . . . . 0.0 108.486 178.249 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' THR . . . . . 0.445 ' OG1' ' OE1' ' A' ' 120' ' ' GLU . 73.2 p -94.27 171.95 8.51 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 120.454 -0.498 . . . . 0.0 110.199 179.36 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 68.0 t0 -58.89 -41.82 88.06 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.167 -179.257 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -61.87 -41.01 97.33 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.85 -0.34 . . . . 0.0 110.575 -179.616 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . 0.531 ' N ' ' OE1' ' A' ' 120' ' ' GLU . 1.0 OUTLIER -69.78 -41.42 75.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.977 0.418 . . . . 0.0 110.613 178.884 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 62.6 t -65.65 -42.72 93.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.884 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -59.02 -40.81 86.1 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.297 -0.561 . . . . 0.0 110.228 -178.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 54.1 tp10 -63.44 -38.77 92.42 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.141 -0.688 . . . . 0.0 109.141 178.562 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 124' ' ' MET . . . . . 0.604 ' SD ' ' CE1' ' B' ' 50' ' ' PHE . 46.5 mmm -67.54 -39.21 85.0 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.351 -0.841 . . . . 0.0 110.59 179.197 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 1.1 mp -62.05 -40.69 88.29 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.223 0 CA-C-N 116.042 -0.527 . . . . 0.0 111.225 -179.332 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 83.8 mtp180 -63.58 -26.1 68.54 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.022 0.439 . . . . 0.0 110.085 -179.724 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -97.01 -7.6 32.55 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.887 179.327 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . 0.474 ' O ' ' CB ' ' A' ' 129' ' ' ASP . . . -86.83 -79.24 0.27 Allowed 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.526 -178.885 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . 0.474 ' CB ' ' O ' ' A' ' 128' ' ' ALA . 1.5 m-20 159.47 -88.98 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.797 0 N-CA-C 111.679 0.251 . . . . 0.0 111.679 179.403 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 67.6 mt . . . . . 0 N--CA 1.466 0.371 0 O-C-N 124.237 0.961 . . . . 0.0 109.899 -177.912 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.661 0 CA-C-O 119.904 -0.387 . . . . 0.0 112.38 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 6.3 mm100 -124.52 144.01 50.35 Favored 'General case' 0 N--CA 1.463 0.217 0 C-N-CA 120.392 -0.523 . . . . 0.0 110.365 178.581 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 38.3 t -130.19 134.88 61.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.626 -0.716 . . . . 0.0 112.161 -179.402 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . 0.521 ' ND2' ' O ' ' A' ' 98' ' ' GLY . 2.0 t-20 -92.96 110.92 22.39 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 108.353 -0.98 . . . . 0.0 108.353 178.2 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 47.0 p90 -65.47 -8.92 21.62 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 112.441 0.534 . . . . 0.0 112.441 -178.238 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 15.9 tm-20 -60.59 -50.43 73.57 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 119.889 -0.724 . . . . 0.0 111.3 -179.004 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . 0.422 ' OE2' ' O ' ' A' ' 128' ' ' ALA . 24.9 pt-20 -62.52 -35.03 78.1 Favored 'General case' 0 CA--C 1.52 -0.198 0 C-N-CA 120.469 -0.492 . . . . 0.0 110.81 -179.145 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . 0.542 ' O ' ' SD ' ' A' ' 145' ' ' MET . 1.1 m-85 -62.83 -43.92 97.51 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 178.727 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 51.9 t -62.06 -40.8 88.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 C-N-CA 120.288 -0.565 . . . . 0.0 109.652 178.508 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 71.6 tp60 -59.98 -42.14 93.52 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 178.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 66.9 mtp -61.45 -45.76 92.94 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-N 115.943 -0.572 . . . . 0.0 109.989 179.351 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 145' ' ' MET . . . . . 0.542 ' SD ' ' O ' ' A' ' 141' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 115.681 -0.69 . . . . 0.0 111.599 -179.41 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 55.3 p30 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.482 0.182 . . . . 0.0 111.1 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -104.45 144.46 28.76 Favored Pre-proline 0 CA--C 1.533 0.314 0 C-N-CA 120.927 -0.309 . . . . 0.0 110.216 179.753 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -69.95 -27.93 24.94 Favored 'Trans proline' 0 N--CA 1.491 1.356 0 C-N-CA 122.333 2.022 . . . . 0.0 112.92 -179.826 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -63.11 -41.84 99.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.194 -179.32 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 94.2 m -63.91 -46.1 86.33 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.71 -0.396 . . . . 0.0 110.517 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -63.27 -42.83 99.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.425 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 43.5 mmm-85 -63.04 -40.01 96.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.4 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -61.61 -41.58 97.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.488 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -62.36 -41.54 98.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.443 179.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 56.3 t -62.83 -43.97 99.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.634 -179.551 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -60.39 -44.94 95.18 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.742 -0.383 . . . . 0.0 111.295 -178.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 97.1 mt -64.44 -47.21 90.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 120.944 0.402 . . . . 0.0 110.874 179.797 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 47' ' ' GLN . . . . . 0.538 ' NE2' ' O ' ' A' ' 113' ' ' GLY . 27.3 mt-30 -64.72 -40.8 95.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.96 -179.478 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 48.1 t -60.83 -46.27 91.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.148 -179.483 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 69.7 tp60 -66.37 -37.94 86.45 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 179.4 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 50' ' ' PHE . . . . . 0.604 ' CE1' ' SD ' ' A' ' 124' ' ' MET . 48.9 t80 -59.74 -42.88 94.16 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.8 179.708 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 44.5 ttm180 -57.29 -40.1 77.11 Favored 'General case' 0 C--N 1.324 -0.523 0 C-N-CA 120.489 -0.484 . . . . 0.0 110.015 -179.753 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 64.3 mmtt -62.02 -36.5 81.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.14 179.401 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 53' ' ' PHE . . . . . . . . . . . . . 51.8 t80 -57.65 -42.26 83.12 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.34 -179.656 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 90.6 mt-30 -61.27 -39.9 92.12 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.655 -179.659 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 63.1 mttp . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.641 179.876 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 66.5 m . . . . . 0 N--CA 1.463 0.198 0 CA-C-O 120.677 0.275 . . . . 0.0 110.839 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 23.4 pt-20 -55.17 -32.82 62.46 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 120.23 -0.588 . . . . 0.0 109.576 -179.577 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -66.46 -34.22 77.45 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.325 -0.852 . . . . 0.0 110.266 179.459 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 53.4 tp10 -63.32 -45.61 90.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.251 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 4.7 mm -67.02 -41.04 86.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.602 179.725 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 79.3 mtp180 -60.54 -35.67 76.58 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.996 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 16.0 tm-20 -55.45 -41.18 72.54 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.19 -35.09 74.59 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.642 179.231 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 72.9 m-85 -77.78 -41.86 35.92 Favored 'General case' 0 C--N 1.333 -0.14 0 C-N-CA 120.739 -0.384 . . . . 0.0 110.314 178.337 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -49.08 -27.0 3.01 Favored 'General case' 0 N--CA 1.462 0.129 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.493 -178.748 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 54.5 t -61.17 -39.62 83.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 N-CA-C 109.913 -0.403 . . . . 0.0 109.913 178.596 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -87.11 -26.92 23.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.043 -179.656 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.421 ' OD1' ' O ' ' A' ' 99' ' ' TYR . 46.1 t0 -87.17 71.49 10.09 Favored 'General case' 0 N--CA 1.464 0.225 0 N-CA-C 109.938 -0.393 . . . . 0.0 109.938 179.387 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 23.4 pttp -70.63 -22.19 62.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.925 0.393 . . . . 0.0 111.46 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -76.1 -26.12 56.11 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.692 179.801 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 66.55 29.68 75.2 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.708 -0.957 . . . . 0.0 110.708 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -97.55 -1.17 44.52 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.669 0.271 . . . . 0.0 110.801 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 94.38 7.62 60.46 Favored Glycine 0 CA--C 1.529 0.925 0 N-CA-C 111.303 -0.719 . . . . 0.0 111.303 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.454 ' CD1' ' N ' ' A' ' 99' ' ' TYR . 15.3 m-85 -135.23 157.55 46.64 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-O 121.191 0.519 . . . . 0.0 111.646 -179.442 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -131.46 146.94 32.84 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.142 0 N-CA-C 107.949 -1.13 . . . . 0.0 107.949 178.015 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 67.5 m -59.35 133.59 56.24 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 119.622 -0.831 . . . . 0.0 109.643 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -64.47 -39.12 93.21 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.034 0.445 . . . . 0.0 111.146 -179.751 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -60.08 -42.06 93.78 Favored 'General case' 0 CA--C 1.534 0.328 0 N-CA-C 112.978 0.733 . . . . 0.0 112.978 -177.66 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.46 ' O ' ' CG2' ' A' ' 108' ' ' VAL . 1.0 OUTLIER -68.62 -27.7 66.26 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.38 -0.528 . . . . 0.0 111.047 -179.067 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 20.7 tp -62.46 -48.16 80.86 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . 0.43 ' C ' ' CD ' ' A' ' 106' ' ' ARG . 0.0 OUTLIER -57.9 -51.36 69.95 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.391 -179.367 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . 0.653 ' NE2' HD21 ' A' ' 111' ' ' ASN . 82.3 t60 -60.25 -45.33 93.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.234 0.54 . . . . 0.0 110.535 179.361 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.46 ' CG2' ' O ' ' A' ' 104' ' ' GLU . 58.0 t -61.86 -38.24 80.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 115.301 -0.863 . . . . 0.0 111.285 -179.844 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -76.85 -27.51 55.12 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.98 -179.597 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 81.2 p -104.47 -16.48 15.06 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 120.648 -0.421 . . . . 0.0 111.808 -178.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . 0.653 HD21 ' NE2' ' A' ' 107' ' ' HIS . 58.8 t30 -108.86 -38.83 5.5 Favored 'General case' 0 N--CA 1.464 0.272 0 N-CA-C 112.538 0.57 . . . . 0.0 112.538 -178.706 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . 0.465 ' O ' ' O ' ' A' ' 113' ' ' GLY . 68.4 mt -106.01 140.35 39.14 Favored 'General case' 0 N--CA 1.466 0.343 0 C-N-CA 120.899 -0.321 . . . . 0.0 111.416 -178.55 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . 0.552 ' O ' ' C ' ' A' ' 114' ' ' GLU . . . 58.37 125.39 0.01 OUTLIER Glycine 0 CA--C 1.523 0.537 0 N-CA-C 110.866 -0.894 . . . . 0.0 110.866 179.288 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . 0.552 ' C ' ' O ' ' A' ' 113' ' ' GLY . 98.8 mt-10 11.84 87.33 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.664 0 O-C-N 124.177 0.575 . . . . 0.0 111.037 179.643 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -46.27 130.94 10.62 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 120.994 0.426 . . . . 0.0 111.928 -177.375 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -89.0 157.09 18.49 Favored 'General case' 0 N--CA 1.462 0.17 0 N-CA-C 108.661 -0.866 . . . . 0.0 108.661 178.332 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' THR . . . . . 0.438 ' OG1' ' OE1' ' A' ' 120' ' ' GLU . 72.8 p -92.93 171.58 8.87 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.68 -0.408 . . . . 0.0 110.227 179.486 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -59.3 -41.11 88.24 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.846 -0.342 . . . . 0.0 110.981 -179.003 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -62.01 -41.43 98.06 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.805 -0.358 . . . . 0.0 110.532 -179.688 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . 0.526 ' N ' ' OE1' ' A' ' 120' ' ' GLU . 0.8 OUTLIER -69.35 -40.71 77.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.96 0.41 . . . . 0.0 110.117 178.56 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 62.3 t -63.77 -45.16 98.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.94 179.739 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -58.3 -40.67 82.62 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.344 -0.542 . . . . 0.0 110.437 -178.658 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 15.4 tm-20 -64.03 -38.57 91.55 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 178.43 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 124' ' ' MET . . . . . 0.592 ' SD ' ' CE1' ' B' ' 50' ' ' PHE . 48.7 mmm -67.66 -39.98 84.52 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.306 -0.861 . . . . 0.0 110.774 179.536 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 1.2 mp -63.01 -39.53 85.55 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.118 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.785 -179.365 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 13.6 tpp85 -62.89 -28.86 70.34 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.408 179.753 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -96.02 -10.3 28.87 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.987 -0.552 . . . . 0.0 111.227 179.788 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . 0.471 ' O ' ' CB ' ' A' ' 129' ' ' ASP . . . -79.46 -68.01 0.7 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.562 -178.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . 0.471 ' CB ' ' O ' ' A' ' 128' ' ' ALA . 9.5 m-20 156.83 -94.63 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.78 0 CA-C-O 120.961 0.41 . . . . 0.0 111.341 179.467 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 130' ' ' ILE . . . . . 0.479 ' CG2' ' O ' ' A' ' 130' ' ' ILE . 95.9 mt . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.768 -178.289 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.108 0 CA-C-O 120.029 -0.317 . . . . 0.0 112.608 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 12.6 pt20 -124.64 149.52 47.02 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-N 117.26 0.53 . . . . 0.0 110.789 179.246 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 25.3 t -132.53 135.34 57.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.671 -0.695 . . . . 0.0 112.166 -179.244 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . 0.443 ' OD1' ' O ' ' A' ' 137' ' ' ASN . 7.5 p30 -92.96 110.75 22.22 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.703 -0.68 . . . . 0.0 109.555 178.468 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 41.9 p90 -62.92 -12.08 22.84 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.617 -0.433 . . . . 0.0 111.681 -178.754 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -58.71 -49.63 76.88 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.154 -0.619 . . . . 0.0 110.269 -179.377 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -61.32 -39.93 92.35 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 120.929 -0.308 . . . . 0.0 111.155 -179.348 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -61.81 -42.53 99.13 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.446 -0.501 . . . . 0.0 109.994 179.095 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 54.7 t -64.65 -40.78 90.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 C-N-CA 120.616 -0.434 . . . . 0.0 110.18 178.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 11.0 tp-100 -59.93 -41.49 91.9 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 108.95 -0.759 . . . . 0.0 108.95 179.13 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 69.7 mtp -59.51 -43.15 93.45 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 108.658 -0.867 . . . . 0.0 108.658 179.325 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 68.4 mtt . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 115.491 -0.777 . . . . 0.0 111.797 -179.715 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.581 0.229 . . . . 0.0 110.664 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.92 121.27 60.76 Favored Pre-proline 0 CA--C 1.543 0.687 0 C-N-CA 120.66 -0.416 . . . . 0.0 110.168 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 76.5 Cg_exo -51.64 -35.19 56.27 Favored 'Trans proline' 0 N--CA 1.501 1.962 0 C-N-CA 122.012 1.808 . . . . 0.0 112.962 179.29 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 24.4 pt-20 -55.3 -34.8 64.46 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.317 -178.753 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 97.0 m -61.75 -48.43 80.71 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.738 -0.385 . . . . 0.0 110.747 -179.618 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 25.7 mp0 -64.54 -40.36 95.45 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.236 0.541 . . . . 0.0 109.991 179.172 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 29.7 tpt180 -61.04 -45.45 94.72 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.393 -0.821 . . . . 0.0 110.182 179.592 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -61.46 -39.87 92.45 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.177 179.675 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -61.43 -40.8 95.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.2 179.739 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 58.1 t -62.4 -45.28 99.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.727 -179.564 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 45' ' ' ALA . . . . . 0.453 ' O ' ' OE1' ' B' ' 49' ' ' GLN . . . -60.74 -44.41 96.72 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.783 -0.367 . . . . 0.0 111.021 -179.108 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 46' ' ' ILE . . . . . 0.407 HD11 HG23 ' B' ' 46' ' ' ILE . 90.6 mt -62.69 -46.13 97.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-O 120.88 0.371 . . . . 0.0 110.629 179.709 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 47' ' ' GLN . . . . . 0.545 ' NE2' ' O ' ' A' ' 114' ' ' GLU . 27.8 mt-30 -65.26 -40.23 93.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.947 179.783 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 48.3 t -60.52 -47.38 86.42 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.551 -179.385 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . 0.453 ' OE1' ' O ' ' B' ' 45' ' ' ALA . 7.1 mp0 -65.91 -36.43 83.38 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.161 178.832 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 50' ' ' PHE . . . . . 0.626 ' CE2' ' NE2' ' B' ' 54' ' ' GLN . 34.1 t80 -59.82 -46.77 88.21 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.978 179.76 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 5.3 mtp180 -60.69 -38.09 83.82 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 120.74 -0.384 . . . . 0.0 110.245 -179.64 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -60.98 -38.05 84.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.896 0.379 . . . . 0.0 110.31 179.512 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 53' ' ' PHE . . . . . . . . . . . . . 68.0 t80 -58.81 -45.43 89.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.148 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 54' ' ' GLN . . . . . 0.626 ' NE2' ' CE2' ' B' ' 50' ' ' PHE . 76.4 mt-30 -61.78 -39.92 93.39 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.949 -179.66 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 59.5 mtpt . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.86 -179.59 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 68.3 m . . . . . 0 CA--C 1.52 -0.19 0 CA-C-O 120.922 0.392 . . . . 0.0 110.311 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.515 ' OE2' ' NH2' ' A' ' 86' ' ' ARG . 88.6 tt0 -57.01 -39.66 75.14 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 179.802 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 3.0 pp20? -62.1 -34.84 77.07 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.389 -0.823 . . . . 0.0 110.501 179.325 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -63.92 -43.42 95.97 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.539 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 4.9 mm -65.22 -41.3 91.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.037 179.769 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . 0.515 ' NH2' ' OE2' ' A' ' 82' ' ' GLU . 99.6 mtt180 -60.44 -36.32 77.93 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.865 -179.838 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 53.8 tp10 -55.82 -39.72 71.77 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.26 -0.645 . . . . 0.0 109.26 -179.646 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.9 -36.44 79.28 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.041 179.504 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 77.9 m-85 -77.88 -42.06 34.62 Favored 'General case' 0 C--N 1.332 -0.193 0 C-N-CA 120.755 -0.378 . . . . 0.0 110.57 178.807 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? -45.63 -30.87 1.65 Allowed 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.33 -179.481 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 53.2 t -61.46 -39.46 82.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.51 179.491 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -85.18 -25.23 27.53 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.609 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 67.8 t0 -90.79 84.83 5.88 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 178.638 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 25.8 tttp -87.52 -22.72 24.7 Favored 'General case' 0 N--CA 1.448 -0.552 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.754 -179.407 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -74.08 -26.54 60.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.992 0.425 . . . . 0.0 109.893 178.784 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 70.56 26.56 73.91 Favored Glycine 0 CA--C 1.526 0.725 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -93.8 -2.9 52.96 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.99 -0.284 . . . . 0.0 111.189 -179.83 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . 0.414 ' C ' ' CD1' ' A' ' 99' ' ' TYR . . . 93.53 9.79 59.82 Favored Glycine 0 CA--C 1.531 1.032 0 N-CA-C 111.355 -0.698 . . . . 0.0 111.355 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.446 ' N ' ' CD1' ' A' ' 99' ' ' TYR . 21.2 m-85 -136.55 158.68 43.86 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-O 121.217 0.532 . . . . 0.0 112.209 -179.647 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.4 pt -130.43 144.25 38.53 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.149 0 N-CA-C 108.435 -0.95 . . . . 0.0 108.435 178.161 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 71.7 m -70.33 104.1 2.59 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 119.821 -0.751 . . . . 0.0 109.04 179.071 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -48.82 -21.22 0.59 Allowed 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 112.501 0.556 . . . . 0.0 112.501 -177.387 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -61.34 -41.03 96.38 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 119.741 -0.783 . . . . 0.0 109.041 178.673 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.405 ' O ' ' CG2' ' A' ' 108' ' ' VAL . 4.7 pt-20 -73.15 -29.35 62.81 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.176 179.782 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 46.6 tp -61.18 -48.92 79.31 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 -179.765 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 8.3 tmm_? -57.71 -49.42 76.61 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.466 -179.262 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . 0.527 ' O ' ' N ' ' A' ' 111' ' ' ASN . 86.1 t60 -60.7 -44.22 96.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.35 0.595 . . . . 0.0 109.964 179.552 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.405 ' CG2' ' O ' ' A' ' 104' ' ' GLU . 58.6 t -62.08 -39.32 83.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 115.143 -0.935 . . . . 0.0 111.123 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -76.77 -22.41 53.79 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.3 -179.599 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 71.8 p -106.05 -17.79 14.23 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.734 -0.386 . . . . 0.0 111.766 -178.514 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . 0.527 ' N ' ' O ' ' A' ' 107' ' ' HIS . 57.0 t30 -109.96 -34.96 6.27 Favored 'General case' 0 N--CA 1.466 0.335 0 N-CA-C 112.624 0.602 . . . . 0.0 112.624 -178.486 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . 0.466 ' O ' ' O ' ' A' ' 113' ' ' GLY . 86.6 mt -107.52 140.23 40.83 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-O 120.87 0.367 . . . . 0.0 111.729 -178.752 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . 0.569 ' O ' ' C ' ' A' ' 114' ' ' GLU . . . 55.94 124.3 0.01 OUTLIER Glycine 0 CA--C 1.524 0.612 0 CA-C-N 115.552 -0.749 . . . . 0.0 111.364 179.195 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . 0.569 ' C ' ' O ' ' A' ' 113' ' ' GLY . 98.8 mt-10 13.66 88.14 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.68 0 O-C-N 123.776 0.339 . . . . 0.0 110.957 179.483 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 62.6 mttp -47.45 134.48 11.86 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.621 -177.355 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -90.32 157.87 17.43 Favored 'General case' 0 N--CA 1.463 0.178 0 N-CA-C 108.895 -0.779 . . . . 0.0 108.895 178.786 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 69.5 p -90.66 168.42 11.79 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.781 -0.368 . . . . 0.0 110.062 179.321 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -59.45 -40.7 87.71 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.799 -0.36 . . . . 0.0 110.598 -179.466 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 53.3 tp10 -62.36 -42.33 99.31 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.095 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -69.51 -39.78 77.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.119 178.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 66.6 t -64.93 -43.47 96.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.857 179.356 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -59.91 -40.94 90.52 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 120.369 -0.532 . . . . 0.0 109.838 -179.091 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . 0.44 ' OE2' ' NE2' ' B' ' 54' ' ' GLN . 88.6 tt0 -63.83 -40.07 95.72 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 178.37 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 124' ' ' MET . . . . . 0.597 ' SD ' ' CD1' ' B' ' 50' ' ' PHE . 47.3 mmm -63.38 -41.42 98.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.401 -0.818 . . . . 0.0 110.357 179.448 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -67.02 -34.25 68.64 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.132 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.612 -179.729 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 1.2 mmp_? -63.19 -32.06 73.36 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.611 -179.741 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -95.56 -10.12 30.47 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.801 179.493 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -78.66 -74.35 0.28 Allowed 'General case' 0 CA--C 1.533 0.294 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.286 -179.397 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . 0.513 ' CG ' ' N ' ' A' ' 130' ' ' ILE . 28.0 t70 168.26 -107.97 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.891 0 O-C-N 123.675 0.609 . . . . 0.0 110.839 179.118 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 130' ' ' ILE . . . . . 0.513 ' N ' ' CG ' ' A' ' 129' ' ' ASP . 77.9 mt . . . . . 0 C--N 1.331 -0.23 0 CA-C-N 115.138 -0.937 . . . . 0.0 112.163 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.672 0 N-CA-C 111.701 -0.56 . . . . 0.0 111.701 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 17.0 pt20 -58.49 148.3 28.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 117.572 0.686 . . . . 0.0 111.119 -179.545 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 1.8 t -128.26 134.58 64.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.153 -179.546 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . 0.438 ' OD1' ' O ' ' A' ' 137' ' ' ASN . 37.0 p-10 -93.17 114.69 27.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.861 179.244 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 46.6 p90 -65.07 -9.24 20.77 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 112.196 0.443 . . . . 0.0 112.196 -178.732 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 52.9 tp10 -59.53 -49.86 76.13 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 120.198 -0.601 . . . . 0.0 110.463 -179.182 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -60.34 -38.37 83.58 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 120.627 0.251 . . . . 0.0 111.049 -179.081 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . 0.434 ' CE1' ' CE ' ' A' ' 144' ' ' MET . 2.1 m-85 -61.3 -43.5 98.76 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 120.514 -0.474 . . . . 0.0 109.869 178.712 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 53.7 t -64.72 -45.39 95.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.637 178.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 52.3 mt-30 -63.08 -41.69 99.47 Favored 'General case' 0 CA--C 1.521 -0.157 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 179.019 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 144' ' ' MET . . . . . 0.434 ' CE ' ' CE1' ' A' ' 141' ' ' PHE . 2.6 ttp -60.73 -46.54 90.04 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.328 -0.851 . . . . 0.0 109.11 178.358 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 8.8 mtm . . . . . 0 C--N 1.324 -0.509 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.783 179.933 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.432 0.158 . . . . 0.0 111.109 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.4 120.93 56.25 Favored Pre-proline 0 CA--C 1.54 0.591 0 C-N-CA 120.594 -0.442 . . . . 0.0 110.494 -179.674 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_exo -51.92 -33.57 52.35 Favored 'Trans proline' 0 N--CA 1.5 1.872 0 C-N-CA 122.023 1.816 . . . . 0.0 112.45 178.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -60.77 -38.41 85.18 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.964 -179.322 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 98.3 m -60.22 -45.86 91.76 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 120.885 -0.326 . . . . 0.0 110.621 -179.768 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 15.9 tm-20 -62.49 -42.2 99.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.367 -0.378 . . . . 0.0 110.443 179.801 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 31.9 mmt180 -63.07 -38.61 91.89 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.541 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -60.32 -39.1 85.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.38 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -60.65 -40.02 90.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.21 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 59.6 t -61.97 -44.1 98.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.443 -179.56 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -60.38 -45.68 92.68 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.739 -0.384 . . . . 0.0 111.253 -179.155 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 91.5 mt -65.31 -45.09 94.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-O 120.963 0.411 . . . . 0.0 111.054 179.749 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 47' ' ' GLN . . . . . 0.524 ' NE2' ' O ' ' A' ' 113' ' ' GLY . 93.6 mt-30 -63.06 -41.06 99.38 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.36 -179.604 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 74.7 m -61.96 -41.95 98.56 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 120.649 -0.42 . . . . 0.0 110.014 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 73.0 mm-40 -65.98 -39.4 90.33 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.684 179.615 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 50' ' ' PHE . . . . . 0.597 ' CD1' ' SD ' ' A' ' 124' ' ' MET . 39.3 t80 -59.88 -48.24 82.51 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 120.681 -0.408 . . . . 0.0 110.389 179.761 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 43.8 ttm180 -61.36 -41.36 96.95 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.048 0.451 . . . . 0.0 109.795 179.188 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 27.5 tptp -60.94 -38.41 85.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.395 179.786 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 53' ' ' PHE . . . . . . . . . . . . . 51.3 t80 -56.5 -45.74 80.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.551 -179.26 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 54' ' ' GLN . . . . . 0.44 ' NE2' ' OE2' ' A' ' 123' ' ' GLU . 99.4 mm-40 -61.63 -40.12 93.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.517 -179.545 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 68.4 mttm . . . . . 0 C--N 1.33 -0.279 0 CA-C-O 120.764 0.316 . . . . 0.0 110.665 179.789 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 71.0 m . . . . . 0 CA--C 1.521 -0.144 0 CA-C-O 120.611 0.243 . . . . 0.0 111.055 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -57.54 -39.55 76.88 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.405 -0.518 . . . . 0.0 109.721 -179.209 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -64.52 -39.56 93.99 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.73 179.086 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -62.88 -44.95 94.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.191 -179.616 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 4.8 mm -67.45 -43.12 87.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.81 0.338 . . . . 0.0 110.544 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -60.46 -36.29 77.9 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.968 -179.804 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -55.06 -41.23 71.23 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.025 -0.731 . . . . 0.0 109.025 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -59.45 -35.86 74.86 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.752 179.588 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 82.7 m-85 -80.06 -41.24 26.03 Favored 'General case' 0 C--N 1.332 -0.161 0 C-N-CA 120.662 -0.415 . . . . 0.0 110.338 178.653 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -49.85 -26.97 4.51 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.441 -178.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 53.9 t -61.81 -40.25 86.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 N-CA-C 110.075 -0.343 . . . . 0.0 110.075 178.525 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -83.9 -24.92 30.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.706 -179.709 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 65.9 t0 -91.71 84.64 5.47 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 178.569 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 5.2 ttmt -86.38 -18.33 32.11 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.645 -179.185 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 70.8 m-20 -81.84 -25.94 34.7 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.72 -0.392 . . . . 0.0 110.075 179.051 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 70.69 29.76 69.2 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.842 -0.903 . . . . 0.0 110.842 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 17.2 t-20 -92.71 -5.97 50.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.617 0.246 . . . . 0.0 110.88 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . 0.417 ' C ' ' CD1' ' A' ' 99' ' ' TYR . . . 94.28 9.42 59.23 Favored Glycine 0 CA--C 1.529 0.928 0 N-CA-C 111.325 -0.71 . . . . 0.0 111.325 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.424 ' N ' ' CD1' ' A' ' 99' ' ' TYR . 32.9 m-85 -137.53 158.3 44.69 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.133 0.492 . . . . 0.0 111.919 -179.653 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 3.3 pt -130.04 145.6 35.39 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.159 0 N-CA-C 107.485 -1.302 . . . . 0.0 107.485 178.033 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 66.8 m -63.93 136.48 57.39 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 119.809 -0.756 . . . . 0.0 110.693 -179.566 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -64.27 -38.47 91.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.949 -179.823 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -59.64 -40.63 88.3 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.951 -177.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -70.22 -27.88 64.83 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 120.45 -0.5 . . . . 0.0 110.49 -179.259 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 24.2 tp -61.28 -50.41 73.13 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . 0.44 ' CZ ' ' CG1' ' A' ' 121' ' ' VAL . 8.2 tpp180 -55.33 -51.37 66.96 Favored 'General case' 0 N--CA 1.462 0.152 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.181 -179.883 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . 0.582 ' CE1' ' ND2' ' A' ' 111' ' ' ASN . 82.3 t60 -61.87 -47.06 86.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.096 0.474 . . . . 0.0 111.611 179.751 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 53.1 t -62.2 -39.86 85.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 115.629 -0.714 . . . . 0.0 112.096 -178.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -75.1 -25.19 58.32 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.659 -179.522 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 72.9 p -106.01 -16.94 14.49 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 120.679 -0.408 . . . . 0.0 111.851 -178.647 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . 0.582 ' ND2' ' CE1' ' A' ' 107' ' ' HIS . 59.4 t30 -106.6 -37.19 6.52 Favored 'General case' 0 CA--C 1.533 0.312 0 N-CA-C 112.38 0.511 . . . . 0.0 112.38 -178.765 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . 0.452 ' O ' ' O ' ' A' ' 113' ' ' GLY . 83.9 mt -108.69 140.57 41.91 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-O 120.961 0.41 . . . . 0.0 111.673 -178.698 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . 0.547 ' O ' ' C ' ' A' ' 114' ' ' GLU . . . 57.04 124.23 0.01 OUTLIER Glycine 0 CA--C 1.524 0.605 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.475 179.162 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . 0.547 ' C ' ' O ' ' A' ' 113' ' ' GLY . 43.8 mp0 14.19 88.52 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.658 0 O-C-N 124.054 0.502 . . . . 0.0 110.917 179.481 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 62.6 mttp -47.16 131.46 12.79 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 120.974 0.416 . . . . 0.0 111.556 -177.244 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -89.69 156.88 18.26 Favored 'General case' 0 N--CA 1.462 0.142 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 178.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 64.3 p -88.01 166.97 14.09 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 109.883 -0.414 . . . . 0.0 109.883 179.085 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -59.88 -39.78 86.42 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 120.726 -0.39 . . . . 0.0 110.691 -179.52 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -63.03 -41.06 99.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.903 0.382 . . . . 0.0 110.016 179.753 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 52.3 mt-10 -69.73 -40.01 76.47 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.264 179.07 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . 0.44 ' CG1' ' CZ ' ' A' ' 106' ' ' ARG . 56.1 t -63.18 -41.93 94.61 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 116.052 -0.522 . . . . 0.0 109.792 178.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 68.1 t0 -59.65 -42.59 93.14 Favored 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 120.548 -0.461 . . . . 0.0 110.305 -179.299 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 -61.94 -40.17 94.6 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.452 0.644 . . . . 0.0 109.46 179.163 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 124' ' ' MET . . . . . 0.596 ' SD ' ' CD1' ' B' ' 50' ' ' PHE . 46.3 mmm -64.66 -41.06 96.36 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.041 -0.981 . . . . 0.0 109.889 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -65.5 -37.24 79.55 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.167 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.541 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 17.6 tpp180 -60.14 -34.18 73.18 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.282 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . 0.448 ' CD ' ' SD ' ' A' ' 144' ' ' MET . 64.9 mt-10 -96.34 -2.85 44.93 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.911 179.699 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -86.22 -78.1 0.29 Allowed 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 111.946 0.35 . . . . 0.0 111.946 -179.076 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . 0.505 ' CG ' ' N ' ' A' ' 130' ' ' ILE . 63.9 t0 176.05 -113.6 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.472 0 O-C-N 123.644 0.59 . . . . 0.0 111.062 -179.645 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 130' ' ' ILE . . . . . 0.505 ' N ' ' CG ' ' A' ' 129' ' ' ASP . 67.6 mt . . . . . 0 N--CA 1.455 -0.182 0 CA-C-N 115.048 -0.978 . . . . 0.0 111.257 -179.432 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.746 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 34.1 mm-40 -117.3 166.74 11.93 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-O 120.642 0.258 . . . . 0.0 110.381 -179.8 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 25.6 t -134.95 132.01 53.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.35 179.808 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . 0.444 ' OD1' ' O ' ' A' ' 137' ' ' ASN . 36.0 p-10 -95.89 110.62 22.78 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.742 -0.383 . . . . 0.0 110.106 179.191 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 36.4 p90 -61.83 -10.12 8.36 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 112.065 0.395 . . . . 0.0 112.065 -178.748 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -59.43 -49.24 78.55 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 119.986 -0.686 . . . . 0.0 110.61 -179.043 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -60.48 -41.33 93.99 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.673 0.273 . . . . 0.0 110.983 -179.324 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -60.79 -45.43 94.43 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 120.58 -0.448 . . . . 0.0 110.149 179.512 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 52.9 t -64.59 -40.85 90.48 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.691 179.341 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 11.2 tp-100 -58.1 -43.63 87.24 Favored 'General case' 0 N--CA 1.455 -0.189 0 C-N-CA 120.233 -0.587 . . . . 0.0 109.447 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 144' ' ' MET . . . . . 0.448 ' SD ' ' CD ' ' A' ' 127' ' ' GLU . 73.4 mtm -59.8 -40.15 87.38 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 179.535 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 67.7 mtt . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 115.868 -0.606 . . . . 0.0 111.974 -179.678 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 36.9 t70 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.599 0.238 . . . . 0.0 110.772 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -59.93 123.19 70.87 Favored Pre-proline 0 CA--C 1.54 0.589 0 C-N-CA 120.655 -0.418 . . . . 0.0 110.375 -179.613 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_exo -51.86 -30.74 39.82 Favored 'Trans proline' 0 N--CA 1.5 1.883 0 C-N-CA 121.84 1.693 . . . . 0.0 112.709 179.138 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -60.7 -40.09 90.94 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.154 -178.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 98.1 m -61.93 -46.34 89.75 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.443 -0.503 . . . . 0.0 110.525 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -63.54 -41.72 98.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.254 179.767 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 34.6 mmt180 -65.42 -38.73 90.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.315 179.666 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -60.76 -40.68 93.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.25 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -61.73 -39.93 93.28 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.177 179.701 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 66.4 t -61.74 -45.61 98.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.6 -179.35 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 45' ' ' ALA . . . . . 0.548 ' O ' ' NE2' ' B' ' 49' ' ' GLN . . . -61.03 -46.6 90.06 Favored 'General case' 0 C--N 1.332 -0.193 0 C-N-CA 120.776 -0.37 . . . . 0.0 111.367 -178.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 90.4 mt -64.18 -46.19 94.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 121.012 0.434 . . . . 0.0 110.543 179.685 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 47' ' ' GLN . . . . . 0.523 ' NE2' ' O ' ' A' ' 113' ' ' GLY . 94.4 mt-30 -64.76 -41.14 96.12 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.055 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 75.8 m -62.47 -42.43 99.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.981 0.42 . . . . 0.0 110.356 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . 0.548 ' NE2' ' O ' ' B' ' 45' ' ' ALA . 2.3 mp0 -68.29 -37.64 80.87 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.938 -0.573 . . . . 0.0 110.987 179.622 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 50' ' ' PHE . . . . . 0.596 ' CD1' ' SD ' ' A' ' 124' ' ' MET . 37.2 t80 -59.79 -48.09 83.08 Favored 'General case' 0 C--N 1.331 -0.205 0 C-N-CA 120.948 -0.301 . . . . 0.0 111.146 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 91.8 mtm180 -61.67 -40.89 96.54 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.493 -0.483 . . . . 0.0 110.495 -179.78 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -62.9 -38.87 92.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.048 0.451 . . . . 0.0 110.202 179.303 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 53' ' ' PHE . . . . . . . . . . . . . 85.3 t80 -59.25 -47.41 85.44 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.436 -179.724 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -62.58 -40.72 97.77 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.522 -179.659 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 68.4 mttm . . . . . 0 C--N 1.33 -0.24 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.732 179.863 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 85.6 p . . . . . 0 CA--C 1.521 -0.137 0 CA-C-O 120.78 0.324 . . . . 0.0 110.848 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 61.1 mp0 -56.44 -36.55 69.14 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.23 -0.656 . . . . 0.0 109.23 -179.212 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 21.5 pt-20 -66.17 -32.75 74.38 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.825 179.474 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -61.36 -46.24 91.05 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-O 120.922 0.391 . . . . 0.0 111.074 -178.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 4.2 mm -70.2 -33.14 53.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 116.168 -0.469 . . . . 0.0 109.912 178.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 42.5 ttm180 -61.41 -38.81 88.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.803 179.497 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -58.67 -38.81 78.99 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.168 -179.564 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.44 -33.44 72.54 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.609 179.336 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 54.2 m-85 -74.94 -40.23 60.91 Favored 'General case' 0 CA--C 1.528 0.124 0 C-N-CA 120.526 -0.47 . . . . 0.0 110.103 177.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -44.59 -29.33 0.72 Allowed 'General case' 0 CA--C 1.52 -0.195 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.217 -179.627 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 55.8 t -60.4 -39.79 82.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.508 179.514 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 18.1 m-85 -89.02 -27.15 21.04 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.795 -0.362 . . . . 0.0 110.861 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 64.8 t0 -88.04 72.27 9.23 Favored 'General case' 0 C--N 1.332 -0.159 0 N-CA-C 109.557 -0.535 . . . . 0.0 109.557 178.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 65.3 pttt -68.77 -19.9 64.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.958 -179.34 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -83.8 -25.39 30.45 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.716 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 68.46 32.47 75.34 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.288 -1.125 . . . . 0.0 110.288 -179.531 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 57.8 t30 -94.38 -3.91 49.44 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.691 0.282 . . . . 0.0 110.824 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 94.26 5.72 61.91 Favored Glycine 0 CA--C 1.528 0.878 0 N-CA-C 111.422 -0.671 . . . . 0.0 111.422 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.455 ' N ' ' CD1' ' A' ' 99' ' ' TYR . 21.8 m-85 -136.24 158.59 44.06 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.766 0.317 . . . . 0.0 110.902 -179.871 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -131.23 149.59 33.49 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.165 0 N-CA-C 107.434 -1.321 . . . . 0.0 107.434 177.481 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 68.8 m -60.43 134.03 56.67 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 119.911 -0.715 . . . . 0.0 110.412 -179.061 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -65.75 -38.0 87.91 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.491 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -60.5 -42.01 95.46 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 112.521 0.563 . . . . 0.0 112.521 -178.115 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.402 ' O ' ' CG2' ' A' ' 108' ' ' VAL . 6.4 pt-20 -69.26 -29.08 66.9 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.447 -0.501 . . . . 0.0 110.569 -178.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 2.5 tt -61.05 -47.89 84.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 109.853 179.742 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.74 -49.96 73.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.139 -179.296 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . 0.596 ' NE2' HD21 ' A' ' 111' ' ' ASN . 86.5 t60 -61.57 -44.28 97.31 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.264 0.554 . . . . 0.0 110.229 179.515 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.402 ' CG2' ' O ' ' A' ' 104' ' ' GLU . 64.4 t -61.39 -39.84 84.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.35 -0.841 . . . . 0.0 110.2 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' MET . . . . . 0.47 ' SD ' ' N ' ' A' ' 109' ' ' MET . 0.0 OUTLIER -74.52 -25.07 59.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.857 -179.702 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 73.3 p -105.48 -17.21 14.5 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 112.294 0.479 . . . . 0.0 112.294 -178.468 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . 0.596 HD21 ' NE2' ' A' ' 107' ' ' HIS . 63.5 t30 -113.03 -50.39 2.88 Favored 'General case' 0 N--CA 1.469 0.495 0 N-CA-C 112.981 0.734 . . . . 0.0 112.981 -178.375 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 83.3 mt -86.83 155.28 20.35 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.777 0.322 . . . . 0.0 111.404 -178.394 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 62.24 -111.02 3.62 Favored Glycine 0 CA--C 1.521 0.438 0 C-N-CA 121.035 -0.602 . . . . 0.0 111.605 178.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . 0.523 ' CB ' HH22 ' B' ' 51' ' ' ARG . 79.5 mm-40 -99.41 166.54 11.13 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.419 -0.585 . . . . 0.0 109.419 178.918 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 46.1 mtpt -109.41 104.98 14.16 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.049 0.452 . . . . 0.0 109.782 178.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -86.3 151.36 23.66 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 108.677 -0.861 . . . . 0.0 108.677 179.187 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' THR . . . . . 0.442 ' OG1' ' OE1' ' A' ' 120' ' ' GLU . 69.1 p -87.78 169.93 11.65 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 120.661 -0.415 . . . . 0.0 109.979 179.39 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . 0.536 ' OD1' ' N ' ' A' ' 119' ' ' GLU . 40.7 p-10 -56.76 -40.95 76.76 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 120.674 -0.41 . . . . 0.0 110.537 -179.746 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . 0.536 ' N ' ' OD1' ' A' ' 118' ' ' ASP . 98.7 mt-10 -62.59 -41.26 98.85 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.622 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . 0.528 ' OE1' ' N ' ' A' ' 120' ' ' GLU . 0.5 OUTLIER -71.42 -41.43 69.53 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.919 0.39 . . . . 0.0 110.946 178.649 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 53.3 t -63.74 -42.33 95.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.12 179.766 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -60.55 -40.19 90.71 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.6 -0.44 . . . . 0.0 109.844 179.754 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -62.04 -40.77 96.86 Favored 'General case' 0 CA--C 1.518 -0.264 0 CA-C-O 121.441 0.638 . . . . 0.0 109.629 178.464 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 124' ' ' MET . . . . . 0.603 ' SD ' ' CG ' ' B' ' 50' ' ' PHE . 46.0 mmm -64.67 -41.6 95.97 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 114.899 -1.046 . . . . 0.0 110.147 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 1.2 mp -65.33 -37.68 80.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.762 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 42.8 ttm180 -60.12 -33.15 71.73 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.076 0.465 . . . . 0.0 110.045 179.315 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 57.8 mt-10 -95.67 -11.36 27.26 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.969 179.419 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . 0.444 ' O ' ' CB ' ' A' ' 129' ' ' ASP . . . -78.18 -67.69 0.71 Allowed 'General case' 0 N--CA 1.463 0.222 0 C-N-CA 120.881 -0.328 . . . . 0.0 111.364 -179.384 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . 0.522 ' OD2' ' ND2' ' A' ' 137' ' ' ASN . 1.2 m-20 163.78 -90.41 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.466 0 CA-C-O 121.12 0.486 . . . . 0.0 112.005 179.861 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 61.0 mt . . . . . 0 C--N 1.327 -0.401 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.737 -177.651 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 N-CA-C 111.605 -0.598 . . . . 0.0 111.605 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -121.14 168.61 11.38 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 120.877 0.37 . . . . 0.0 110.863 -179.405 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 44.9 t -134.3 133.31 55.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.668 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . 0.522 ' ND2' ' OD2' ' A' ' 129' ' ' ASP . 0.0 OUTLIER -94.48 106.53 18.51 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 178.598 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 38.9 p90 -62.17 -14.05 33.6 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.715 -0.394 . . . . 0.0 111.401 -179.13 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -58.8 -49.94 75.82 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.196 -0.602 . . . . 0.0 110.426 -179.287 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 53.0 tp10 -61.04 -42.55 98.69 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.923 -0.311 . . . . 0.0 110.417 -179.497 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -59.48 -48.4 81.78 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.532 -0.467 . . . . 0.0 109.759 179.115 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 75.2 t -63.03 -43.17 98.88 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 C-N-CA 120.73 -0.388 . . . . 0.0 110.274 179.763 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 10.9 tp-100 -60.98 -41.53 96.62 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 108.658 -0.867 . . . . 0.0 108.658 178.673 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 2.0 ttp -65.94 -49.49 67.74 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 115.133 -0.939 . . . . 0.0 110.509 178.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 66.2 mtt . . . . . 0 C--N 1.328 -0.338 0 N-CA-C 112.942 0.719 . . . . 0.0 112.942 -179.295 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 97.3 m-20 . . . . . 0 C--O 1.23 0.063 0 CA-C-O 120.773 0.321 . . . . 0.0 110.569 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -94.03 112.11 55.86 Favored Pre-proline 0 CA--C 1.539 0.554 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.901 -179.689 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 67.4 Cg_exo -52.4 -23.9 20.05 Favored 'Trans proline' 0 N--CA 1.497 1.719 0 C-N-CA 121.928 1.752 . . . . 0.0 111.976 178.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 60.9 mp0 -60.1 -37.98 81.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.353 -179.57 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 94.5 m -60.41 -41.17 93.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.101 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 66.4 mm-40 -60.66 -42.12 96.39 Favored 'General case' 0 C--N 1.331 -0.199 0 C-N-CA 120.866 -0.333 . . . . 0.0 110.416 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 33.4 mmt180 -64.12 -40.89 97.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.968 0.413 . . . . 0.0 110.171 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.97 -43.66 87.22 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 120.358 -0.537 . . . . 0.0 110.242 179.33 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.91 -40.71 87.75 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.537 -0.756 . . . . 0.0 112.369 -179.516 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -66.96 -37.6 79.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 C-N-CA 120.668 -0.413 . . . . 0.0 111.05 -178.232 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -63.57 -43.12 97.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.748 0.308 . . . . 0.0 111.151 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 96.7 mt -62.49 -46.52 96.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 121.238 0.542 . . . . 0.0 110.153 -179.716 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 47' ' ' GLN . . . . . 0.504 ' NE2' ' O ' ' A' ' 114' ' ' GLU . 81.2 mt-30 -63.35 -39.87 95.72 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.371 -0.832 . . . . 0.0 111.36 -179.753 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 94.2 p -63.46 -38.76 92.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.785 0.326 . . . . 0.0 110.755 -179.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 96.0 mm-40 -65.92 -38.47 88.77 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.456 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 50' ' ' PHE . . . . . 0.603 ' CG ' ' SD ' ' A' ' 124' ' ' MET . 30.9 t80 -58.56 -48.45 80.87 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 120.529 -0.468 . . . . 0.0 110.597 -179.356 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 51' ' ' ARG . . . . . 0.523 HH22 ' CB ' ' A' ' 114' ' ' GLU . 79.7 mtt85 -61.65 -40.19 94.03 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.797 -0.361 . . . . 0.0 110.62 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -64.26 -40.92 96.97 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.678 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 53' ' ' PHE . . . . . . . . . . . . . 73.3 t80 -60.03 -46.59 89.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.089 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 30.1 mm100 -62.0 -39.93 93.91 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.415 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 65.0 tttp . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.364 -179.844 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 85.2 p . . . . . 0 CA--C 1.522 -0.131 0 CA-C-O 120.982 0.42 . . . . 0.0 110.34 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -54.32 -39.49 67.09 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.124 -0.489 . . . . 0.0 109.781 -179.424 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 23.3 pt-20 -63.89 -36.16 83.03 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.588 179.442 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -62.41 -47.01 85.99 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.748 -179.44 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 4.9 mm -66.53 -39.08 83.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 121.242 0.544 . . . . 0.0 109.718 179.34 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 42.2 ttm180 -58.19 -39.32 78.64 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.17 -0.923 . . . . 0.0 110.922 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -57.73 -40.1 78.82 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 -179.785 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.55 -38.86 89.02 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.142 179.6 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 54.4 m-85 -73.95 -42.45 60.5 Favored 'General case' 0 C--N 1.332 -0.161 0 C-N-CA 120.576 -0.45 . . . . 0.0 110.693 178.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 93.9 mtt-85 -49.24 -24.57 1.83 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.595 -178.636 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 56.3 t -62.53 -39.74 85.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.573 178.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 37.6 m-85 -82.12 -18.68 42.08 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 120.881 -0.328 . . . . 0.0 110.694 -179.782 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.448 ' OD1' ' OD1' ' A' ' 95' ' ' ASP . 64.6 t0 -96.49 97.09 9.14 Favored 'General case' 0 CA--C 1.53 0.211 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 179.379 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 64.8 pttt -79.26 -20.82 47.17 Favored 'General case' 0 N--CA 1.463 0.18 0 N-CA-C 113.574 0.953 . . . . 0.0 113.574 -178.407 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . 0.448 ' OD1' ' OD1' ' A' ' 93' ' ' ASP . 54.5 p30 -104.91 5.72 33.1 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.199 0.524 . . . . 0.0 110.322 179.67 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 43.84 43.03 6.59 Favored Glycine 0 CA--C 1.526 0.777 0 N-CA-C 109.923 -1.271 . . . . 0.0 109.923 179.411 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 63.2 t30 -90.12 -1.86 58.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.87 0.367 . . . . 0.0 110.835 -179.444 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 94.26 5.44 62.1 Favored Glycine 0 CA--C 1.525 0.712 0 C-N-CA 120.97 -0.633 . . . . 0.0 111.676 179.755 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.466 ' N ' ' CD1' ' A' ' 99' ' ' TYR . 14.0 m-85 -137.37 158.25 44.82 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-N 117.036 0.418 . . . . 0.0 110.577 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -131.88 152.93 37.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 N-CA-C 107.688 -1.227 . . . . 0.0 107.688 177.908 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 42.2 t -63.61 127.05 29.62 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 119.759 -0.776 . . . . 0.0 110.298 -179.589 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -61.28 -35.58 77.69 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.03 -179.614 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -58.68 -49.86 76.01 Favored 'General case' 0 CA--C 1.533 0.291 0 N-CA-C 112.115 0.413 . . . . 0.0 112.115 -178.125 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -61.59 -27.65 68.79 Favored 'General case' 0 C--N 1.332 -0.159 0 C-N-CA 120.204 -0.599 . . . . 0.0 110.741 -178.723 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 14.2 tp -60.96 -51.19 70.29 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.198 -0.667 . . . . 0.0 109.198 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 15.1 tpt180 -55.1 -51.81 65.23 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.826 -179.734 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . 0.401 ' O ' ' CB ' ' A' ' 111' ' ' ASN . 73.4 t60 -62.6 -48.68 78.37 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.9 0.381 . . . . 0.0 111.798 179.419 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 59.1 t -61.64 -43.22 96.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.807 -0.633 . . . . 0.0 112.63 -178.412 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.62 -30.12 70.32 Favored 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 120.933 -0.307 . . . . 0.0 111.709 -179.279 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 49.4 p -104.51 -6.73 20.33 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 120.65 -0.42 . . . . 0.0 112.022 -178.552 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . 0.401 ' CB ' ' O ' ' A' ' 107' ' ' HIS . 28.6 t-20 -107.72 -45.57 3.99 Favored 'General case' 0 N--CA 1.464 0.262 0 C-N-CA 120.782 -0.367 . . . . 0.0 111.486 -179.667 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 68.1 mt -105.91 -178.77 3.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.47 0.652 . . . . 0.0 111.622 -178.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 63.6 -124.41 31.15 Favored Glycine 0 CA--C 1.526 0.748 0 CA-C-N 114.854 -1.066 . . . . 0.0 112.83 178.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . 0.496 ' N ' ' OE1' ' B' ' 47' ' ' GLN . 99.5 mt-10 -98.71 17.91 18.15 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.499 -0.351 . . . . 0.0 111.523 -178.674 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.473 ' O ' ' O ' ' A' ' 114' ' ' GLU . 50.9 mttp 44.69 104.21 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.949 -0.568 . . . . 0.0 111.348 179.207 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -96.59 155.78 16.62 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.07 -0.513 . . . . 0.0 109.99 179.145 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' THR . . . . . 0.435 ' OG1' ' OE1' ' A' ' 120' ' ' GLU . 70.2 p -93.03 170.62 9.51 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 178.764 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -59.22 -39.89 84.11 Favored 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 120.736 -0.386 . . . . 0.0 110.974 -179.181 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 75.6 mm-40 -62.22 -43.53 98.63 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 120.499 -0.48 . . . . 0.0 110.892 -179.733 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . 0.52 ' OE1' ' N ' ' A' ' 120' ' ' GLU . 1.0 OUTLIER -68.31 -42.08 79.91 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.806 0.336 . . . . 0.0 111.002 179.278 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 70.6 t -63.87 -45.79 96.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.456 . . . . 0.0 109.971 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -54.59 -38.14 66.36 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 120.175 -0.61 . . . . 0.0 109.881 -178.263 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 75.4 mm-40 -61.91 -38.76 89.6 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.195 -0.669 . . . . 0.0 109.195 178.363 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 124' ' ' MET . . . . . 0.611 ' SD ' ' CD1' ' B' ' 50' ' ' PHE . 26.1 mmm -69.39 -40.34 77.45 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.352 -0.84 . . . . 0.0 111.097 179.86 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 1.3 mp -61.7 -42.13 93.13 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.246 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.034 -179.345 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 44.1 ttm180 -60.9 -31.58 71.08 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.045 0.45 . . . . 0.0 110.064 179.638 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -96.7 1.84 51.43 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.768 179.306 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -92.38 -83.94 0.29 Allowed 'General case' 0 CA--C 1.532 0.274 0 N-CA-C 112.037 0.384 . . . . 0.0 112.037 -178.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . 0.463 ' CG ' ' N ' ' A' ' 130' ' ' ILE . 29.0 t70 -179.74 -104.52 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.418 0 CA-C-O 121.299 0.571 . . . . 0.0 111.589 -179.461 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 130' ' ' ILE . . . . . 0.463 ' N ' ' CG ' ' A' ' 129' ' ' ASP . 73.4 mt . . . . . 0 N--CA 1.454 -0.239 0 CA-C-N 115.184 -0.916 . . . . 0.0 111.022 -179.247 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.921 0 N-CA-C 112.141 -0.384 . . . . 0.0 112.141 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -116.96 157.27 26.03 Favored 'General case' 0 N--CA 1.465 0.323 0 N-CA-C 109.876 -0.416 . . . . 0.0 109.876 178.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 25.7 t -131.88 130.95 61.86 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.142 0 CA-C-O 120.87 0.367 . . . . 0.0 111.852 -179.695 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . 0.447 ' OD1' ' O ' ' A' ' 137' ' ' ASN . 8.3 p30 -86.28 107.59 18.02 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.387 -0.597 . . . . 0.0 109.387 178.625 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 41.1 p90 -64.89 -10.14 26.42 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 120.523 -0.471 . . . . 0.0 112.174 -178.42 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -60.14 -49.56 77.15 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 119.929 -0.708 . . . . 0.0 110.855 -179.304 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 52.6 tp10 -61.69 -43.25 99.22 Favored 'General case' 0 N--CA 1.464 0.244 0 C-N-CA 121.092 -0.243 . . . . 0.0 111.075 -179.129 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -59.05 -45.02 91.82 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 110.043 -0.354 . . . . 0.0 110.043 179.466 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 53.9 t -64.79 -44.23 96.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.335 179.107 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 11.0 tp-100 -61.87 -41.37 97.78 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 108.805 -0.813 . . . . 0.0 108.805 178.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 2.6 ttt -65.36 -49.71 68.33 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.083 -0.962 . . . . 0.0 109.983 178.55 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.621 -0.263 . . . . 0.0 110.936 179.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 66.9 t0 . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.442 0.163 . . . . 0.0 110.946 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.5 137.37 92.41 Favored Pre-proline 0 CA--C 1.536 0.428 0 C-N-CA 120.523 -0.471 . . . . 0.0 109.776 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -69.0 -22.0 36.23 Favored 'Trans proline' 0 N--CA 1.494 1.517 0 C-N-CA 122.168 1.912 . . . . 0.0 112.872 -179.153 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -62.5 -41.61 98.94 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.04 -179.511 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 91.8 m -64.81 -45.21 87.18 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.727 -0.389 . . . . 0.0 110.623 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -63.55 -40.95 98.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.443 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 18.0 mmm180 -63.94 -40.46 96.5 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.275 179.765 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -62.31 -39.99 94.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.428 179.733 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -61.31 -39.82 91.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.456 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 55.4 t -61.62 -45.93 97.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.479 -179.616 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -61.07 -46.58 90.11 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.744 -0.382 . . . . 0.0 111.164 -179.095 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 93.6 mt -65.2 -47.21 88.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 C-N-CA 120.675 -0.41 . . . . 0.0 110.911 179.785 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 47' ' ' GLN . . . . . 0.496 ' OE1' ' N ' ' A' ' 114' ' ' GLU . 77.5 mt-30 -65.78 -40.58 92.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.312 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 48.3 t -62.12 -45.54 93.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.997 0.427 . . . . 0.0 110.677 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 96.9 mm-40 -64.86 -38.29 90.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.184 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 50' ' ' PHE . . . . . 0.611 ' CD1' ' SD ' ' A' ' 124' ' ' MET . 37.2 t80 -58.5 -48.28 81.33 Favored 'General case' 0 C--N 1.332 -0.188 0 C-N-CA 120.599 -0.44 . . . . 0.0 110.464 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -62.26 -39.71 93.81 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.067 0.46 . . . . 0.0 109.774 179.353 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 39.4 ttmt -65.76 -38.06 88.04 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.837 179.393 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 53' ' ' PHE . . . . . . . . . . . . . 67.9 t80 -57.52 -49.37 76.54 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.998 -178.328 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 24.9 pt20 -68.42 -34.77 76.59 Favored 'General case' 0 C--N 1.332 -0.185 0 C-N-CA 120.205 -0.598 . . . . 0.0 111.064 -179.577 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 62.3 mttp . . . . . 0 C--N 1.329 -0.283 0 C-N-CA 120.788 -0.365 . . . . 0.0 110.576 179.016 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 66.2 m . . . . . 0 N--CA 1.462 0.139 0 CA-C-O 120.779 0.323 . . . . 0.0 110.831 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -55.87 -36.75 67.94 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 -179.012 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 23.2 pt-20 -67.77 -26.29 66.04 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.306 -0.861 . . . . 0.0 111.327 179.613 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -61.85 -46.2 90.48 Favored 'General case' 0 N--CA 1.463 0.223 0 C-N-CA 120.812 -0.355 . . . . 0.0 110.768 -178.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 2.1 mt -75.2 -26.02 18.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-O 121.152 0.501 . . . . 0.0 110.161 179.637 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 80.3 ttt180 -61.49 -43.01 99.63 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.398 -0.593 . . . . 0.0 109.398 178.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -59.92 -40.5 89.09 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.642 -0.708 . . . . 0.0 109.607 179.341 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.96 -36.01 78.26 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.737 -0.665 . . . . 0.0 109.952 179.075 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.443 ' O ' ' OD1' ' A' ' 93' ' ' ASP . 33.2 m-85 -71.34 -42.69 68.22 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.503 -0.479 . . . . 0.0 110.264 178.575 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -44.08 -36.15 2.44 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.474 -178.903 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 8.7 p -55.84 -30.82 28.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 C-N-CA 120.368 -0.533 . . . . 0.0 110.533 -179.448 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 40.2 m-85 -96.31 -29.89 13.73 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 179.764 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.564 ' N ' ' OD1' ' A' ' 93' ' ' ASP . 0.0 OUTLIER -86.59 62.69 7.56 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-O 121.437 0.637 . . . . 0.0 109.59 179.814 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 26.6 pttm -71.41 -20.7 62.09 Favored 'General case' 0 C--N 1.33 -0.271 0 O-C-N 121.919 -0.488 . . . . 0.0 111.532 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -75.08 -26.21 59.16 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.448 179.691 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 70.12 25.22 75.91 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.776 -0.93 . . . . 0.0 110.776 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 53.2 p-10 -92.3 -3.92 54.72 Favored 'General case' 0 C--N 1.331 -0.229 0 C-N-CA 120.903 -0.319 . . . . 0.0 110.962 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 95.04 -2.8 66.39 Favored Glycine 0 CA--C 1.531 1.04 0 C-N-CA 121.031 -0.604 . . . . 0.0 111.688 179.707 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.466 ' N ' ' CD1' ' A' ' 99' ' ' TYR . 10.9 m-85 -125.12 159.04 32.38 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 121.37 0.605 . . . . 0.0 111.823 -178.636 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -129.51 143.22 41.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 N-CA-C 107.633 -1.247 . . . . 0.0 107.633 178.169 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 68.3 m -61.32 134.03 56.51 Favored 'General case' 0 C--N 1.323 -0.581 0 C-N-CA 119.484 -0.886 . . . . 0.0 109.933 -179.425 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -62.67 -38.65 91.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.952 0.406 . . . . 0.0 110.708 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -59.75 -40.78 89.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.754 -179.173 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -64.42 -39.86 94.66 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.677 -0.238 . . . . 0.0 110.866 179.431 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 51.0 tp -60.02 -47.12 87.16 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.652 -0.419 . . . . 0.0 110.17 -179.11 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 6.2 tmm_? -58.29 -49.35 77.46 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.632 -0.427 . . . . 0.0 110.92 -178.826 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 75.3 t60 -60.29 -47.43 86.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.077 0.465 . . . . 0.0 111.124 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 55.7 t -60.62 -36.05 67.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-N 115.523 -0.762 . . . . 0.0 111.468 -179.681 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' MET . . . . . 0.485 ' SD ' ' N ' ' A' ' 109' ' ' MET . 0.0 OUTLIER -81.29 -20.94 39.77 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 111.962 0.356 . . . . 0.0 111.962 -179.361 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 55.5 p -103.85 -22.29 13.53 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 120.288 -0.565 . . . . 0.0 110.973 -179.246 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 29.5 t-20 -108.98 -47.93 3.36 Favored 'General case' 0 N--CA 1.464 0.27 0 N-CA-C 112.502 0.556 . . . . 0.0 112.502 -178.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . 0.481 ' O ' ' O ' ' A' ' 113' ' ' GLY . 90.6 mt -94.69 143.35 26.51 Favored 'General case' 0 N--CA 1.465 0.323 0 N-CA-C 112.411 0.523 . . . . 0.0 112.411 -178.121 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . 0.546 ' O ' ' C ' ' A' ' 114' ' ' GLU . . . 54.24 124.56 0.01 OUTLIER Glycine 0 CA--C 1.524 0.622 0 CA-C-N 115.035 -0.984 . . . . 0.0 111.699 178.831 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . 0.546 ' C ' ' O ' ' A' ' 113' ' ' GLY . 45.8 mp0 14.28 86.16 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.673 0 O-C-N 123.985 0.462 . . . . 0.0 111.134 179.211 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -47.52 132.53 13.61 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.177 0.513 . . . . 0.0 111.626 -177.643 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -91.01 159.0 16.37 Favored 'General case' 0 C--O 1.231 0.117 0 N-CA-C 108.238 -1.023 . . . . 0.0 108.238 177.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' THR . . . . . 0.453 ' OG1' ' OE1' ' A' ' 120' ' ' GLU . 72.3 p -93.4 172.07 8.51 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 120.512 -0.475 . . . . 0.0 110.114 179.416 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -59.06 -41.72 88.62 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.029 -179.332 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -62.81 -42.32 99.67 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.943 -0.303 . . . . 0.0 110.904 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . 0.509 ' OE1' ' N ' ' A' ' 120' ' ' GLU . 0.7 OUTLIER -67.71 -46.88 70.95 Favored 'General case' 0 C--N 1.332 -0.192 0 C-N-CA 120.722 -0.391 . . . . 0.0 110.764 179.137 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 68.0 t -63.58 -42.52 96.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.104 -179.701 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -56.03 -39.37 71.85 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.006 -0.678 . . . . 0.0 109.476 -179.006 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 53.3 tp10 -63.23 -38.1 89.86 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.238 -0.652 . . . . 0.0 109.238 178.169 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 124' ' ' MET . . . . . 0.423 ' CG ' ' CZ ' ' B' ' 50' ' ' PHE . 96.1 mtp -70.08 -39.53 75.53 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.75 179.821 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 1.2 mp -59.47 -38.48 75.42 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.138 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.654 -179.585 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 83.8 mtp180 -67.83 -26.61 66.14 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.866 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 -96.14 -11.32 26.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.873 179.69 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . 0.483 ' O ' ' CG ' ' A' ' 129' ' ' ASP . . . -77.68 -66.96 0.77 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.65 -178.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . 0.483 ' CG ' ' O ' ' A' ' 128' ' ' ALA . 13.0 m-20 155.76 -99.32 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.862 0 O-C-N 123.428 0.455 . . . . 0.0 110.774 179.797 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 62.2 mt . . . . . 0 C--N 1.332 -0.17 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.202 -179.208 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.56 0 N-CA-C 111.671 -0.572 . . . . 0.0 111.671 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 83.3 mm-40 -120.76 149.98 41.69 Favored 'General case' 0 CA--C 1.52 -0.193 0 N-CA-C 108.877 -0.786 . . . . 0.0 108.877 178.225 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 43.0 t -127.98 134.77 64.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-O 121.13 0.491 . . . . 0.0 112.195 -178.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . 0.434 ' OD1' ' O ' ' A' ' 137' ' ' ASN . 35.3 p-10 -93.72 111.21 22.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.59 -0.732 . . . . 0.0 109.334 178.649 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 43.1 p90 -61.41 -10.97 8.53 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 120.495 -0.482 . . . . 0.0 112.032 -178.61 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -58.9 -50.19 74.97 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 119.794 -0.762 . . . . 0.0 110.123 -179.259 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 52.6 tp10 -60.4 -43.14 96.97 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 121.038 -0.265 . . . . 0.0 110.789 -179.371 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -60.66 -42.49 97.14 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 120.26 -0.576 . . . . 0.0 110.2 179.473 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 47.5 t -63.68 -40.84 90.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 C-N-CA 120.639 -0.424 . . . . 0.0 110.477 178.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -62.3 -40.27 95.74 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.47 -0.566 . . . . 0.0 109.47 179.215 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 71.2 mtp -59.71 -44.19 93.82 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 178.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 55.8 mtt . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 115.356 -0.838 . . . . 0.0 111.864 -179.586 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 55.1 p30 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.61 0.243 . . . . 0.0 111.309 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -89.05 116.91 67.6 Favored Pre-proline 0 CA--C 1.539 0.536 0 C-N-CA 120.785 -0.366 . . . . 0.0 110.202 179.565 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 82.6 Cg_exo -50.01 -28.67 19.54 Favored 'Trans proline' 0 N--CA 1.497 1.707 0 C-N-CA 121.723 1.615 . . . . 0.0 112.107 179.274 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -60.99 -39.87 91.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.667 -179.501 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 92.6 m -63.34 -42.15 98.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.822 0.344 . . . . 0.0 110.219 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 53.9 tp10 -60.64 -43.47 97.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 109.978 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 18.1 mmm180 -62.73 -40.69 97.98 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.781 -0.368 . . . . 0.0 110.072 179.729 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -62.45 -40.93 98.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.343 179.571 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -61.81 -41.92 98.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.467 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 61.0 t -63.89 -45.25 97.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.817 -179.441 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -60.75 -43.67 97.66 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.919 -0.313 . . . . 0.0 111.44 -178.741 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 46' ' ' ILE . . . . . 0.401 HG21 HD12 ' B' ' 46' ' ' ILE . 91.9 mt -63.0 -47.03 94.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-O 121.004 0.43 . . . . 0.0 110.621 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 47' ' ' GLN . . . . . 0.517 ' NE2' ' O ' ' A' ' 113' ' ' GLY . 84.5 mt-30 -65.13 -40.39 94.37 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.791 -0.641 . . . . 0.0 111.465 -179.4 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 48.4 t -60.7 -46.4 90.53 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.501 -179.366 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -65.55 -38.63 90.15 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.67 -0.493 . . . . 0.0 109.67 179.38 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 50' ' ' PHE . . . . . 0.423 ' CZ ' ' CG ' ' A' ' 124' ' ' MET . 53.0 t80 -60.28 -39.71 87.85 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.714 179.877 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 44.6 ttm180 -58.51 -42.34 87.46 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 110.088 -0.338 . . . . 0.0 110.088 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 40.2 ttmt -60.84 -39.7 90.05 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.024 0.44 . . . . 0.0 110.032 179.478 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 53' ' ' PHE . . . . . . . . . . . . . 55.2 t80 -59.59 -38.97 82.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.648 -179.74 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 54' ' ' GLN . . . . . 0.421 ' OE1' ' CE2' ' B' ' 50' ' ' PHE . 26.1 mt-30 -60.92 -38.85 87.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.653 -179.488 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 2.3 mmmm . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.54 -179.72 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 68.0 m . . . . . 0 CA--C 1.522 -0.098 0 CA-C-O 120.92 0.391 . . . . 0.0 110.262 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -57.35 -39.21 75.49 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -69.42 -31.88 70.5 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.693 -0.685 . . . . 0.0 111.217 179.283 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -61.79 -43.71 98.31 Favored 'General case' 0 C--O 1.233 0.236 0 C-N-CA 120.415 -0.514 . . . . 0.0 110.519 -179.298 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 3.1 mm -70.54 -31.41 46.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.1 -0.5 . . . . 0.0 109.814 178.75 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 41.8 ttm180 -62.49 -37.93 87.91 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.593 -0.731 . . . . 0.0 110.287 179.106 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -58.45 -37.36 75.28 Favored 'General case' 0 C--N 1.334 -0.103 0 CA-C-N 116.045 -0.525 . . . . 0.0 109.802 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -59.74 -32.24 70.37 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.336 179.134 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.442 ' O ' ' OD1' ' A' ' 93' ' ' ASP . 72.4 m-85 -77.88 -38.18 46.44 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 120.611 -0.436 . . . . 0.0 110.321 178.035 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 1.8 mpt_? -47.96 -29.15 3.17 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.655 -179.425 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 48.4 t -60.06 -38.93 78.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-O 120.929 0.395 . . . . 0.0 110.161 179.255 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.405 ' CD1' ' OE1' ' A' ' 104' ' ' GLU . 22.5 m-85 -89.0 -24.96 22.25 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.336 179.769 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.568 ' N ' ' OD1' ' A' ' 93' ' ' ASP . 0.0 OUTLIER -85.84 62.95 7.77 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-O 121.12 0.486 . . . . 0.0 110.394 -179.475 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 16.6 ptpt -69.8 -24.21 63.45 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.863 -0.335 . . . . 0.0 111.883 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . 0.527 ' OD1' ' N ' ' A' ' 96' ' ' GLY . 55.0 p-10 -72.8 -25.47 61.16 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.764 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . 0.527 ' N ' ' OD1' ' A' ' 95' ' ' ASP . . . 69.26 25.45 75.44 Favored Glycine 0 CA--C 1.526 0.75 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 57.5 t30 -94.01 -7.67 42.11 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.658 0.266 . . . . 0.0 110.963 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 95.83 8.2 58.29 Favored Glycine 0 CA--C 1.529 0.932 0 N-CA-C 111.091 -0.804 . . . . 0.0 111.091 -179.681 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.455 ' CD1' ' N ' ' A' ' 99' ' ' TYR . 12.6 m-85 -133.5 156.39 47.85 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-O 121.168 0.509 . . . . 0.0 111.992 -179.11 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -130.7 143.51 40.69 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.152 0 N-CA-C 107.7 -1.222 . . . . 0.0 107.7 177.896 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 41.4 t -59.47 135.9 57.81 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 119.917 -0.713 . . . . 0.0 110.295 -179.397 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -63.71 -37.75 88.52 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.026 0.441 . . . . 0.0 110.923 179.768 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -59.33 -41.71 89.75 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.724 -0.671 . . . . 0.0 112.777 -177.764 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.442 ' O ' ' CG2' ' A' ' 108' ' ' VAL . 0.6 OUTLIER -67.83 -29.43 68.58 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.162 -0.615 . . . . 0.0 110.65 -179.371 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 23.3 tp -62.56 -48.44 79.45 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.057 -0.52 . . . . 0.0 109.638 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 8.5 tmm_? -58.43 -50.14 74.76 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.617 -179.092 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . 0.546 ' ND1' ' OD1' ' A' ' 111' ' ' ASN . 62.3 t60 -61.13 -47.0 88.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.411 0.624 . . . . 0.0 110.619 179.704 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.442 ' CG2' ' O ' ' A' ' 104' ' ' GLU . 56.3 t -60.79 -38.3 78.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 115.038 -0.983 . . . . 0.0 111.181 -179.342 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' MET . . . . . 0.416 ' N ' ' SD ' ' A' ' 109' ' ' MET . 0.0 OUTLIER -76.01 -25.78 56.05 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.625 -179.538 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 58.7 p -104.53 -17.22 14.8 Favored 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 120.513 -0.475 . . . . 0.0 112.201 -178.303 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . 0.546 ' OD1' ' ND1' ' A' ' 107' ' ' HIS . 26.4 m120 -113.1 -49.49 2.92 Favored 'General case' 0 N--CA 1.469 0.52 0 N-CA-C 113.27 0.841 . . . . 0.0 113.27 -178.478 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . 0.491 ' O ' ' O ' ' A' ' 113' ' ' GLY . 89.5 mt -88.14 148.68 24.31 Favored 'General case' 0 N--CA 1.467 0.377 0 C-N-CA 120.86 -0.336 . . . . 0.0 111.445 -178.608 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . 0.562 ' O ' ' NE2' ' B' ' 47' ' ' GLN . . . 41.23 101.41 0.01 OUTLIER Glycine 0 C--N 1.336 0.567 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 179.439 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . 0.504 ' O ' ' O ' ' A' ' 113' ' ' GLY . 97.6 mt-10 52.26 165.3 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 117.096 0.448 . . . . 0.0 110.325 179.53 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -124.02 118.77 27.73 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.835 -0.346 . . . . 0.0 111.089 -179.312 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . 0.5 ' CD2' ' NE2' ' B' ' 47' ' ' GLN . 4.5 mm? -85.92 155.08 21.07 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 108.665 -0.865 . . . . 0.0 108.665 178.41 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' THR . . . . . 0.441 ' OG1' ' OE1' ' A' ' 120' ' ' GLU . 70.7 p -90.49 171.93 9.07 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.635 -0.426 . . . . 0.0 109.933 179.425 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -58.35 -42.64 87.36 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.875 -0.33 . . . . 0.0 110.653 -179.568 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -61.84 -40.3 94.81 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.953 -179.548 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . 0.526 ' N ' ' OE1' ' A' ' 120' ' ' GLU . 0.5 OUTLIER -71.68 -40.74 69.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.049 0.452 . . . . 0.0 110.423 178.433 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 53.2 t -65.24 -41.5 91.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.085 179.784 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 68.2 t0 -59.23 -42.02 90.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.153 -179.116 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -61.74 -37.14 83.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.387 0.613 . . . . 0.0 110.363 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 124' ' ' MET . . . . . 0.596 ' SD ' ' CD1' ' B' ' 50' ' ' PHE . 2.4 mmm -77.28 -33.05 55.9 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.11 -0.95 . . . . 0.0 110.225 179.314 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -66.56 -36.52 77.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.145 -178.428 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 5.9 tpt180 -63.23 -63.52 1.17 Allowed 'General case' 0 C--N 1.332 -0.157 0 C-N-CA 120.407 -0.517 . . . . 0.0 110.01 -179.152 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -59.76 -8.6 2.18 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.664 -178.734 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . 0.465 ' O ' ' CB ' ' A' ' 129' ' ' ASP . . . -74.05 -69.18 0.46 Allowed 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.858 -0.337 . . . . 0.0 111.138 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . 0.465 ' CB ' ' O ' ' A' ' 128' ' ' ALA . 6.9 m-20 157.67 -88.95 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.679 0 CA-C-O 121.038 0.447 . . . . 0.0 110.703 179.847 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 73.7 mt . . . . . 0 C--N 1.327 -0.391 0 CA-C-N 115.443 -0.799 . . . . 0.0 111.615 -179.638 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.534 0 N-CA-C 111.95 -0.46 . . . . 0.0 111.95 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 16.7 pt20 -126.1 142.91 51.32 Favored 'General case' 0 CA--C 1.517 -0.323 0 CA-C-O 121.234 0.54 . . . . 0.0 110.346 178.627 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 55.3 t -129.7 134.72 62.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 115.07 -0.968 . . . . 0.0 112.186 -178.572 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 55.3 t-20 -94.02 109.36 21.11 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.029 -1.1 . . . . 0.0 108.029 177.835 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . 0.482 ' CE2' ' OD2' ' A' ' 93' ' ' ASP . 40.5 p90 -61.62 -9.93 7.18 Favored 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 120.558 -0.457 . . . . 0.0 112.096 -178.234 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 75.4 mm-40 -59.84 -50.15 74.91 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 119.661 -0.816 . . . . 0.0 110.215 -179.452 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -61.18 -40.42 93.86 Favored 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 120.863 -0.335 . . . . 0.0 110.847 -179.36 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -61.4 -45.44 94.33 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 120.598 -0.441 . . . . 0.0 110.041 179.102 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 56.1 t -63.8 -41.17 91.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.508 179.15 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . 0.496 ' NE2' ' O ' ' A' ' 143' ' ' GLN . 1.2 tm0? -56.8 -43.29 80.79 Favored 'General case' 0 N--CA 1.455 -0.212 0 N-CA-C 109.177 -0.675 . . . . 0.0 109.177 -179.757 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 73.0 mtm -59.64 -40.78 88.76 Favored 'General case' 0 N--CA 1.455 -0.211 0 N-CA-C 108.807 -0.812 . . . . 0.0 108.807 179.13 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 66.2 mtt . . . . . 0 C--N 1.327 -0.41 0 CA-C-N 115.663 -0.699 . . . . 0.0 111.596 179.91 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.731 0.301 . . . . 0.0 110.741 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -66.83 132.56 93.96 Favored Pre-proline 0 CA--C 1.537 0.454 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.301 -179.813 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -70.88 -22.35 27.08 Favored 'Trans proline' 0 N--CA 1.492 1.434 0 C-N-CA 122.017 1.811 . . . . 0.0 112.384 -179.774 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -62.98 -38.1 89.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.989 -179.523 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 99.1 m -59.79 -45.16 93.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.527 -0.306 . . . . 0.0 110.466 -179.492 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -61.73 -40.04 93.67 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.728 -0.471 . . . . 0.0 109.728 179.434 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.57 -43.26 89.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.533 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -61.7 -40.76 96.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.47 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -61.79 -41.11 97.31 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.519 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 62.7 t -63.17 -44.76 99.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.292 -179.762 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -60.75 -44.89 96.13 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.484 -0.325 . . . . 0.0 111.272 -178.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 97.0 mt -64.4 -46.91 91.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 C-N-CA 120.594 -0.442 . . . . 0.0 110.267 179.774 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 47' ' ' GLN . . . . . 0.562 ' NE2' ' O ' ' A' ' 113' ' ' GLY . 33.9 mt-30 -64.96 -41.48 95.44 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.512 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 48.3 t -61.75 -46.42 89.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.998 0.427 . . . . 0.0 110.337 -179.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 72.1 tp60 -65.78 -39.24 90.79 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.482 179.813 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 50' ' ' PHE . . . . . 0.596 ' CD1' ' SD ' ' A' ' 124' ' ' MET . 38.5 t80 -59.0 -47.06 86.56 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.961 -179.623 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -60.31 -41.09 92.76 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.619 -0.432 . . . . 0.0 110.077 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 64.7 mmtt -65.74 -39.43 91.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.763 179.369 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 53' ' ' PHE . . . . . . . . . . . . . 93.0 t80 -60.07 -49.79 76.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.435 -179.019 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 23.0 pt20 -71.27 -26.62 62.96 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.693 -0.403 . . . . 0.0 110.671 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 88.0 tttt . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.153 179.599 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 87.3 p . . . . . 0 N--CA 1.462 0.169 0 CA-C-O 120.706 0.288 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -54.24 -35.9 62.97 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 120.423 -0.511 . . . . 0.0 109.711 -179.32 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 25.5 pt-20 -66.51 -32.9 74.54 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.894 179.454 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 53.5 tp10 -60.95 -47.61 85.62 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-O 121.072 0.463 . . . . 0.0 110.214 -179.102 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 4.4 mm -66.73 -35.06 73.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.122 178.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . 0.574 ' CZ ' ' NH2' ' A' ' 90' ' ' ARG . 79.8 ttt180 -60.59 -38.91 86.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.108 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 70.9 mm-40 -58.58 -37.72 76.37 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.868 0.366 . . . . 0.0 110.022 -179.802 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -59.85 -35.2 74.26 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.278 179.036 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 72.7 m-85 -79.18 -38.15 36.55 Favored 'General case' 0 CA--C 1.531 0.216 0 C-N-CA 120.845 -0.342 . . . . 0.0 110.599 178.529 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.574 ' NH2' ' CZ ' ' A' ' 86' ' ' ARG . 95.2 mtt-85 -51.22 -28.43 11.44 Favored 'General case' 0 N--CA 1.463 0.21 0 C-N-CA 120.716 -0.394 . . . . 0.0 110.704 -178.573 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 55.6 t -60.83 -38.19 78.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 N-CA-C 109.798 -0.445 . . . . 0.0 109.798 178.229 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -85.28 -23.42 28.17 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.778 -0.647 . . . . 0.0 111.223 -179.694 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 58.9 t0 -89.89 71.76 7.56 Favored 'General case' 0 N--CA 1.463 0.203 0 C-N-CA 120.635 -0.426 . . . . 0.0 110.268 179.257 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 20.5 ptmt -70.5 -26.73 63.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.966 0.412 . . . . 0.0 110.961 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -71.14 -25.41 62.56 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.769 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 68.32 26.78 74.06 Favored Glycine 0 CA--C 1.527 0.803 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 58.5 t30 -91.66 -5.12 54.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.696 0.284 . . . . 0.0 110.868 -179.753 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . 0.403 ' O ' ' CE2' ' A' ' 138' ' ' TYR . . . 98.3 -7.78 62.19 Favored Glycine 0 CA--C 1.527 0.817 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 -179.715 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.51 ' CD1' ' N ' ' A' ' 99' ' ' TYR . 9.4 m-85 -120.73 160.89 22.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.049 0.452 . . . . 0.0 111.096 -178.858 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -131.94 146.48 33.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 N-CA-C 108.131 -1.063 . . . . 0.0 108.131 178.492 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 41.1 t -59.68 133.03 55.72 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 119.643 -0.823 . . . . 0.0 109.712 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -65.35 -38.64 90.7 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.028 0.442 . . . . 0.0 111.214 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -59.19 -40.82 86.95 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.795 -0.639 . . . . 0.0 112.134 -177.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -69.78 -30.72 68.35 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.388 -0.525 . . . . 0.0 110.634 -179.457 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 2.6 tt -61.41 -48.72 79.9 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.349 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 6.0 tmm_? -57.62 -48.31 79.79 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.541 -0.464 . . . . 0.0 110.014 -179.198 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . 0.573 ' NE2' HD21 ' A' ' 111' ' ' ASN . 85.7 t60 -61.28 -45.22 95.4 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.337 0.589 . . . . 0.0 110.308 179.617 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 61.2 t -61.6 -38.43 80.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.167 -0.924 . . . . 0.0 111.038 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' MET . . . . . 0.521 ' N ' ' SD ' ' A' ' 109' ' ' MET . 0.0 OUTLIER -76.93 -28.85 55.4 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.707 -0.679 . . . . 0.0 112.217 -179.705 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 49.5 p -102.83 -15.92 16.08 Favored 'General case' 0 C--N 1.323 -0.557 0 C-N-CA 120.339 -0.544 . . . . 0.0 111.613 -178.286 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . 0.573 HD21 ' NE2' ' A' ' 107' ' ' HIS . 59.5 t30 -111.19 -50.39 2.94 Favored 'General case' 0 N--CA 1.468 0.427 0 N-CA-C 112.71 0.633 . . . . 0.0 112.71 -178.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . 0.416 ' O ' ' NE2' ' B' ' 47' ' ' GLN . 91.8 mt -90.23 167.23 12.85 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-O 120.74 0.305 . . . . 0.0 111.352 -179.198 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 58.61 -117.51 10.95 Favored Glycine 0 C--N 1.335 0.48 0 N-CA-C 111.482 -0.647 . . . . 0.0 111.482 178.677 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . 0.516 ' H ' ' NE2' ' B' ' 47' ' ' GLN . 6.0 mm-40 -96.9 168.49 10.46 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.26 -0.645 . . . . 0.0 109.26 178.499 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 27.0 mmtp -103.97 92.31 4.34 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.403 -179.207 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . 0.467 ' CD2' ' N ' ' A' ' 116' ' ' LEU . 3.6 mm? -79.61 150.38 31.03 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 108.406 -0.961 . . . . 0.0 108.406 178.174 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' THR . . . . . 0.479 ' OG1' ' OE1' ' A' ' 120' ' ' GLU . 19.6 p -94.96 178.65 5.49 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 120.361 -0.536 . . . . 0.0 109.564 179.402 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -60.28 -39.51 87.14 Favored 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 120.703 -0.399 . . . . 0.0 110.414 -179.791 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -62.21 -43.35 99.04 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.045 -179.812 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . 0.479 ' OE1' ' OG1' ' A' ' 117' ' ' THR . 5.7 mp0 -71.59 -44.52 64.33 Favored 'General case' 0 N--CA 1.455 -0.206 0 C-N-CA 120.666 -0.414 . . . . 0.0 111.21 179.106 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 73.5 t -65.21 -41.86 92.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.332 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -51.95 -42.7 63.07 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.568 -0.453 . . . . 0.0 110.334 -178.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 -63.31 -33.47 75.58 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.077 179.202 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 93.6 mtp -74.46 -36.93 63.35 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.042 179.326 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 1.1 mp -60.3 -42.58 91.16 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.165 0 CA-C-N 115.613 -0.721 . . . . 0.0 111.608 -179.028 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 12.4 ttt85 -60.26 -63.96 1.12 Allowed 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 120.179 -0.609 . . . . 0.0 110.309 -179.236 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . 0.442 ' CD ' ' SD ' ' A' ' 144' ' ' MET . 57.6 mt-10 -61.39 -8.39 3.97 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.879 -0.601 . . . . 0.0 111.68 -178.513 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . 0.416 ' O ' ' CB ' ' A' ' 129' ' ' ASP . . . -75.23 -71.53 0.36 Allowed 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.84 -0.344 . . . . 0.0 110.897 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . 0.478 ' CG ' ' N ' ' A' ' 130' ' ' ILE . 2.9 t70 160.97 -87.06 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.407 0 CA-C-O 121.343 0.592 . . . . 0.0 110.684 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 130' ' ' ILE . . . . . 0.478 ' N ' ' CG ' ' A' ' 129' ' ' ASP . 0.7 OUTLIER . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 114.859 -1.064 . . . . 0.0 111.192 -179.148 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 N-CA-C 112.486 -0.245 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . 0.414 ' O ' ' OD2' ' A' ' 129' ' ' ASP . 11.8 pt20 -128.84 148.45 50.89 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-O 121.046 0.451 . . . . 0.0 110.908 179.159 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 49.2 t -129.53 134.43 63.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.411 -0.813 . . . . 0.0 112.081 -179.326 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . 0.433 ' OD1' ' OE1' ' A' ' 139' ' ' GLU . 60.5 t30 -93.38 112.05 23.87 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 108.716 -0.846 . . . . 0.0 108.716 178.659 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . 0.444 ' CE1' ' OE2' ' A' ' 139' ' ' GLU . 38.4 p90 -66.22 -10.16 39.15 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 112.782 0.66 . . . . 0.0 112.782 -178.07 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . 0.444 ' OE2' ' CE1' ' A' ' 138' ' ' TYR . 4.9 mp0 -59.26 -51.43 69.98 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.102 -0.639 . . . . 0.0 111.005 -179.87 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 76.0 mm-40 -61.66 -40.29 94.42 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 120.827 -0.349 . . . . 0.0 110.9 -179.182 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -59.97 -45.51 92.44 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.888 -0.412 . . . . 0.0 109.888 178.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 53.5 t -64.19 -43.74 97.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 C-N-CA 120.787 -0.365 . . . . 0.0 110.792 179.289 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -63.29 -42.58 99.08 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.569 -0.452 . . . . 0.0 109.872 179.634 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 144' ' ' MET . . . . . 0.442 ' SD ' ' CD ' ' A' ' 127' ' ' GLU . 3.2 ttp -70.37 -52.04 25.44 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.093 178.847 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 83.0 mtp . . . . . 0 C--N 1.321 -0.652 0 CA-C-N 116.144 -0.48 . . . . 0.0 112.279 -179.158 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 . . . . . 0 CA--C 1.527 0.095 0 CA-C-O 120.499 0.19 . . . . 0.0 111.431 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.32 120.75 54.38 Favored Pre-proline 0 CA--C 1.543 0.676 0 C-N-CA 120.719 -0.392 . . . . 0.0 110.819 -179.378 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_exo -53.21 -29.68 47.57 Favored 'Trans proline' 0 N--CA 1.5 1.892 0 C-N-CA 122.032 1.821 . . . . 0.0 112.283 178.637 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -60.31 -36.85 78.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.662 -179.486 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 97.9 m -59.54 -44.51 93.2 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.666 -179.62 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -61.87 -40.65 96.12 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.744 -0.382 . . . . 0.0 110.615 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 90.1 mmt-85 -63.76 -39.69 94.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.67 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -61.38 -40.77 95.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.914 0.388 . . . . 0.0 110.517 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -62.03 -39.69 93.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.887 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 56.9 t -61.32 -46.04 97.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.527 -179.274 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -60.88 -44.44 97.08 Favored 'General case' 0 C--N 1.331 -0.218 0 C-N-CA 120.582 -0.447 . . . . 0.0 110.656 -179.429 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 81.8 mt -63.55 -48.03 88.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.095 179.527 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 47' ' ' GLN . . . . . 0.516 ' NE2' ' H ' ' A' ' 114' ' ' GLU . 75.2 mt-30 -66.08 -41.19 91.04 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.879 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 75.7 m -63.34 -43.86 96.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.925 0.393 . . . . 0.0 110.181 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 72.4 tp60 -66.51 -39.15 88.51 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.359 179.554 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 50' ' ' PHE . . . . . 0.473 ' CZ ' ' NE2' ' B' ' 54' ' ' GLN . 56.1 t80 -59.22 -47.47 85.22 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.743 -179.803 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 44.3 ttm180 -59.63 -42.13 92.03 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.635 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 62.8 mttp -61.36 -40.35 93.95 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.28 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 53' ' ' PHE . . . . . . . . . . . . . 65.9 t80 -61.13 -45.12 95.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.118 179.465 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 54' ' ' GLN . . . . . 0.473 ' NE2' ' CZ ' ' B' ' 50' ' ' PHE . 92.2 mt-30 -61.14 -40.34 93.45 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.89 -179.193 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 64.6 tttm . . . . . 0 C--N 1.328 -0.344 0 CA-C-O 120.814 0.34 . . . . 0.0 110.296 -179.876 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 66.0 m . . . . . 0 CA--C 1.522 -0.115 0 CA-C-O 121.009 0.433 . . . . 0.0 110.243 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -55.5 -39.15 70.1 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 -179.615 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.421 ' CD ' ' N ' ' A' ' 84' ' ' GLU . 3.2 pp20? -64.16 -34.69 78.65 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.614 179.301 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.421 ' N ' ' CD ' ' A' ' 83' ' ' GLU . 88.5 tt0 -62.99 -45.66 91.36 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-O 121.027 0.441 . . . . 0.0 110.454 -179.792 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 4.2 mm -65.22 -39.23 84.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.642 178.729 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 80.3 ttt180 -59.35 -38.28 79.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.201 -0.909 . . . . 0.0 111.017 179.854 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -56.24 -40.0 73.43 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.122 -0.49 . . . . 0.0 109.866 -179.395 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.71 -35.56 76.62 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.765 179.228 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 64.4 m-85 -73.83 -41.01 62.91 Favored 'General case' 0 C--N 1.332 -0.194 0 C-N-CA 120.469 -0.493 . . . . 0.0 110.324 178.419 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -49.07 -26.83 2.88 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.102 -178.156 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 55.3 t -61.18 -39.66 83.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 C-N-CA 120.674 -0.41 . . . . 0.0 110.629 179.021 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 27.8 m-85 -81.98 -23.44 36.05 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.848 -0.341 . . . . 0.0 110.814 -179.801 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.434 ' OD1' ' OD1' ' A' ' 95' ' ' ASP . 62.6 t0 -90.68 78.59 6.18 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.238 179.446 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 16.0 ptpt -75.03 -25.38 58.69 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.751 0.31 . . . . 0.0 111.784 -179.796 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . 0.434 ' OD1' ' OD1' ' A' ' 93' ' ' ASP . 12.3 p-10 -75.69 -23.97 56.22 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.669 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 67.7 29.16 73.61 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.858 -0.897 . . . . 0.0 110.858 179.797 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . 0.428 ' O ' ' OD1' ' A' ' 97' ' ' ASN . 26.8 t-20 -95.8 -1.82 48.88 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 120.921 -0.312 . . . . 0.0 110.671 -179.855 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . 0.427 ' C ' ' CD1' ' A' ' 99' ' ' TYR . . . 93.9 13.8 53.88 Favored Glycine 0 CA--C 1.53 0.979 0 C-N-CA 120.799 -0.715 . . . . 0.0 111.432 -179.795 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.433 ' CD1' ' N ' ' A' ' 99' ' ' TYR . 24.1 m-85 -138.36 157.0 47.09 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-O 121.228 0.537 . . . . 0.0 112.145 -179.641 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -131.25 144.59 37.23 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.084 0 N-CA-C 107.926 -1.138 . . . . 0.0 107.926 177.919 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 40.5 t -60.53 132.05 52.68 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.032 -0.667 . . . . 0.0 110.625 -179.468 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -64.7 -38.83 92.33 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.923 179.653 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -60.04 -40.72 90.36 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.852 -0.613 . . . . 0.0 112.028 -178.323 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -70.28 -30.05 66.97 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.511 -0.476 . . . . 0.0 110.488 -179.3 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 4.8 tt -60.97 -48.44 81.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.048 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . 0.426 ' CD ' ' C ' ' A' ' 106' ' ' ARG . 0.0 OUTLIER -56.92 -49.47 75.51 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.22 -179.71 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . 0.521 ' NE2' HD21 ' A' ' 111' ' ' ASN . 79.2 t60 -61.79 -46.91 87.5 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.283 0.563 . . . . 0.0 110.812 179.126 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 61.2 t -62.51 -39.57 84.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 115.497 -0.774 . . . . 0.0 111.673 -179.584 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' MET . . . . . 0.462 ' N ' ' SD ' ' A' ' 109' ' ' MET . 0.0 OUTLIER -70.16 -32.11 69.93 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.799 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 64.3 p -103.92 -14.03 16.14 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 112.235 0.457 . . . . 0.0 112.235 -178.166 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . 0.521 HD21 ' NE2' ' A' ' 107' ' ' HIS . 63.9 t30 -105.89 -28.63 10.49 Favored 'General case' 0 N--CA 1.463 0.216 0 N-CA-C 112.068 0.396 . . . . 0.0 112.068 -179.419 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 83.2 mt -118.59 -179.13 3.7 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 121.628 0.728 . . . . 0.0 111.84 -179.191 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 62.71 -122.91 29.23 Favored Glycine 0 CA--C 1.526 0.733 0 CA-C-N 114.612 -1.176 . . . . 0.0 112.145 179.108 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . 0.421 ' O ' ' O ' ' A' ' 115' ' ' LYS . 99.3 mt-10 -99.76 13.82 32.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.921 0.391 . . . . 0.0 111.054 -179.353 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.421 ' O ' ' O ' ' A' ' 114' ' ' GLU . 90.0 mttt 49.58 101.98 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.642 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . 0.535 ' CD2' ' NE2' ' B' ' 47' ' ' GLN . 4.2 mm? -91.7 156.45 17.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.239 -179.819 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 64.3 p -91.74 170.58 9.79 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.998 -0.371 . . . . 0.0 109.998 179.171 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . 0.531 ' OD1' ' N ' ' A' ' 119' ' ' GLU . 41.3 p-10 -58.44 -40.84 83.67 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.754 -0.378 . . . . 0.0 110.86 -179.793 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . 0.531 ' N ' ' OD1' ' A' ' 118' ' ' ASP . 88.6 tt0 -61.82 -42.7 99.35 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.664 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 78.3 mm-40 -69.52 -40.01 77.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.093 0.473 . . . . 0.0 110.025 178.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 76.9 t -66.73 -44.24 89.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.161 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -56.82 -46.57 81.57 Favored 'General case' 0 C--N 1.331 -0.205 0 C-N-CA 120.943 -0.303 . . . . 0.0 111.017 -178.085 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 53.6 tp10 -62.39 -37.2 84.85 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 179.076 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 124' ' ' MET . . . . . 0.599 ' SD ' ' CE1' ' B' ' 50' ' ' PHE . 37.0 mmm -70.78 -37.7 73.34 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.21 -0.905 . . . . 0.0 110.324 178.322 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -61.19 -37.34 77.27 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.156 0 CA-C-N 115.578 -0.737 . . . . 0.0 111.489 -177.532 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 24.6 mmm-85 -61.42 -63.16 1.37 Allowed 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 119.927 -0.709 . . . . 0.0 109.52 -179.62 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -59.68 -6.94 1.32 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.452 -178.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -76.82 -73.82 0.27 Allowed 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.681 -0.408 . . . . 0.0 110.222 179.294 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . 0.487 ' CG ' ' N ' ' A' ' 130' ' ' ILE . 10.0 t70 163.46 -93.08 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.709 0 CA-C-O 121.57 0.7 . . . . 0.0 111.102 179.075 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 130' ' ' ILE . . . . . 0.487 ' N ' ' CG ' ' A' ' 129' ' ' ASP . 64.6 mt . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 114.721 -1.127 . . . . 0.0 110.649 -178.67 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 CA-C-O 120.063 -0.298 . . . . 0.0 112.837 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . 0.434 ' O ' ' OD2' ' A' ' 129' ' ' ASP . 0.6 OUTLIER -123.54 145.23 49.03 Favored 'General case' 0 N--CA 1.466 0.342 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 177.797 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 40.4 t -124.86 134.32 67.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.835 -0.621 . . . . 0.0 112.542 -178.602 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . 0.453 ' OD1' ' O ' ' A' ' 137' ' ' ASN . 9.1 p30 -93.3 113.16 25.28 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 115.536 -0.756 . . . . 0.0 109.062 178.272 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 37.9 p90 -63.16 -6.79 4.64 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.486 -0.485 . . . . 0.0 111.962 -178.48 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -60.37 -51.05 71.17 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 119.952 -0.699 . . . . 0.0 110.7 -179.489 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 52.5 tp10 -60.37 -41.01 92.82 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-O 120.837 0.351 . . . . 0.0 110.729 -179.135 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . 0.517 ' O ' ' SD ' ' A' ' 145' ' ' MET . 3.9 m-85 -61.42 -41.05 96.56 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 120.409 -0.516 . . . . 0.0 109.799 179.187 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 52.5 t -64.07 -40.49 89.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 C-N-CA 120.533 -0.467 . . . . 0.0 110.584 178.793 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 75.7 mt-30 -61.2 -40.4 93.8 Favored 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 178.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 72.7 mtp -60.46 -44.7 95.6 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 179.372 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 145' ' ' MET . . . . . 0.517 ' SD ' ' O ' ' A' ' 141' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--N 1.331 -0.234 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.187 179.808 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 67.1 t0 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.546 0.213 . . . . 0.0 110.854 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -59.92 124.98 79.39 Favored Pre-proline 0 CA--C 1.541 0.627 0 C-N-CA 120.727 -0.389 . . . . 0.0 110.337 -179.709 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 76.2 Cg_exo -51.79 -27.21 26.19 Favored 'Trans proline' 0 N--CA 1.498 1.789 0 C-N-CA 121.783 1.655 . . . . 0.0 112.459 179.105 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 52.7 tp10 -59.32 -43.32 92.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.793 -178.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 93.9 m -61.81 -48.24 81.5 Favored 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 120.579 -0.448 . . . . 0.0 110.975 -179.437 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -64.45 -40.73 96.28 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.622 -0.51 . . . . 0.0 109.622 179.346 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 51.6 tpt85 -61.6 -46.08 91.37 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.335 -0.848 . . . . 0.0 110.561 179.361 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -61.49 -40.29 94.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.238 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -61.55 -39.35 90.78 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.598 179.789 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 44' ' ' VAL . . . . . 0.408 ' O ' ' CB ' ' B' ' 48' ' ' SER . 52.9 t -60.43 -46.04 95.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.177 -179.34 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -61.47 -46.54 89.63 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.52 -0.472 . . . . 0.0 111.175 -179.522 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 94.9 mt -66.71 -48.08 81.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.84 0.353 . . . . 0.0 111.329 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 47' ' ' GLN . . . . . 0.535 ' NE2' ' CD2' ' A' ' 116' ' ' LEU . 14.9 mm100 -69.02 -40.47 78.65 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.937 -179.061 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 48' ' ' SER . . . . . 0.408 ' CB ' ' O ' ' B' ' 44' ' ' VAL . 47.7 t -62.95 -43.86 97.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.105 0.479 . . . . 0.0 110.185 179.449 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 10.0 tp-100 -63.51 -36.53 84.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.331 -179.869 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 50' ' ' PHE . . . . . 0.599 ' CE1' ' SD ' ' A' ' 124' ' ' MET . 43.2 t80 -57.62 -45.84 84.86 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.718 -179.823 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 45.0 ttm180 -57.58 -45.87 84.69 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 120.597 -0.441 . . . . 0.0 110.002 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 20.3 ttmm -62.2 -41.33 98.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.966 0.412 . . . . 0.0 110.146 179.175 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 53' ' ' PHE . . . . . . . . . . . . . 92.8 t80 -58.61 -46.81 86.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.414 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 98.3 mm-40 -61.42 -39.27 90.17 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.545 -179.834 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 38.8 ttpt . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.606 -179.871 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 68.6 m . . . . . 0 N--CA 1.463 0.18 0 CA-C-O 120.875 0.369 . . . . 0.0 110.465 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -56.15 -36.14 67.95 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 -179.03 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 22.8 pt-20 -66.83 -28.48 68.39 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.97 179.286 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -62.41 -46.43 88.6 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-O 120.925 0.393 . . . . 0.0 110.761 -179.079 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 1.8 mt -72.93 -28.72 27.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 121.141 0.496 . . . . 0.0 110.168 179.534 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 41.0 ttm180 -60.34 -39.41 87.03 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.905 -0.589 . . . . 0.0 109.883 179.145 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -58.89 -43.72 91.01 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 179.66 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.48 -37.9 82.53 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.957 179.779 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 37.7 m-85 -76.5 -43.28 40.24 Favored 'General case' 0 C--N 1.332 -0.175 0 C-N-CA 120.644 -0.423 . . . . 0.0 110.352 178.357 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 95.2 mtt180 -48.77 -24.42 1.41 Allowed 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.447 -178.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 53.2 t -61.77 -40.74 87.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 N-CA-C 109.938 -0.393 . . . . 0.0 109.938 178.612 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 20.2 m-85 -86.12 -25.6 25.69 Favored 'General case' 0 CA--C 1.53 0.206 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.213 -179.604 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 63.7 t0 -88.35 76.38 8.34 Favored 'General case' 0 C--N 1.332 -0.176 0 C-N-CA 120.52 -0.472 . . . . 0.0 109.822 179.248 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 3.9 ptmm? -71.05 -21.14 62.29 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.751 -179.683 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -82.74 -25.83 32.49 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.795 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 68.02 32.73 77.48 Favored Glycine 0 CA--C 1.526 0.732 0 N-CA-C 110.473 -1.051 . . . . 0.0 110.473 -179.786 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 58.5 t30 -96.26 -1.06 48.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.704 0.288 . . . . 0.0 110.775 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 94.26 6.11 61.67 Favored Glycine 0 CA--C 1.529 0.928 0 N-CA-C 111.56 -0.616 . . . . 0.0 111.56 179.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.459 ' N ' ' CD1' ' A' ' 99' ' ' TYR . 18.2 m-85 -134.77 158.99 42.73 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-O 121.204 0.526 . . . . 0.0 111.654 -179.597 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -132.44 149.67 32.51 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.155 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 178.279 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 67.0 m -60.3 131.84 52.05 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 119.685 -0.806 . . . . 0.0 109.964 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -66.81 -38.06 85.74 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.904 0.383 . . . . 0.0 111.059 179.697 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -60.63 -42.38 96.77 Favored 'General case' 0 N--CA 1.465 0.292 0 N-CA-C 112.737 0.643 . . . . 0.0 112.737 -178.109 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.4 ' O ' ' CG2' ' A' ' 108' ' ' VAL . 7.8 pt-20 -69.28 -27.15 65.16 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.318 -0.553 . . . . 0.0 110.445 -179.055 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 45.7 tp -61.5 -45.7 93.13 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 108.915 -0.772 . . . . 0.0 108.915 179.693 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 9.3 tpp180 -56.98 -50.16 73.55 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.224 -179.007 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . 0.427 ' O ' ' N ' ' A' ' 111' ' ' ASN . 80.6 t60 -62.61 -44.46 96.24 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.41 0.624 . . . . 0.0 110.358 179.61 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.4 ' CG2' ' O ' ' A' ' 104' ' ' GLU . 74.4 t -61.77 -37.33 77.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 114.98 -1.009 . . . . 0.0 112.094 -178.782 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -82.64 -22.6 34.63 Favored 'General case' 0 N--CA 1.466 0.326 0 C-N-CA 120.595 -0.442 . . . . 0.0 111.8 -178.879 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 46.4 p -103.46 -16.63 15.52 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 120.464 -0.494 . . . . 0.0 111.347 -179.089 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . 0.427 ' N ' ' O ' ' A' ' 107' ' ' HIS . 17.0 t-20 -109.93 -48.7 3.17 Favored 'General case' 0 N--CA 1.464 0.272 0 C-N-CA 120.99 -0.284 . . . . 0.0 111.761 -179.534 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 91.0 mt -95.05 174.55 7.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.312 0.577 . . . . 0.0 111.79 -179.086 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 70.23 -123.09 11.82 Favored Glycine 0 CA--C 1.527 0.799 0 CA-C-N 115.005 -0.998 . . . . 0.0 112.927 178.679 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . 0.446 ' O ' ' O ' ' A' ' 115' ' ' LYS . 99.4 mt-10 -105.08 13.43 30.82 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.878 0.37 . . . . 0.0 111.466 -179.016 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.446 ' O ' ' O ' ' A' ' 114' ' ' GLU . 52.9 mttp 50.05 103.91 0.01 OUTLIER 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.791 179.813 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . 0.447 ' CD2' ' OE1' ' B' ' 47' ' ' GLN . 4.5 mm? -91.25 158.44 16.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.788 -0.642 . . . . 0.0 109.735 179.21 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 72.6 p -92.35 170.07 10.07 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.194 -0.669 . . . . 0.0 109.194 178.572 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -59.12 -40.71 86.27 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 120.481 -0.487 . . . . 0.0 110.642 -179.308 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -63.11 -43.05 99.54 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.625 -0.43 . . . . 0.0 111.011 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -69.4 -44.07 72.17 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.88 0.371 . . . . 0.0 111.129 179.701 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 65.2 t -65.63 -42.89 93.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.753 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -54.66 -39.01 67.61 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.283 -0.567 . . . . 0.0 109.604 -178.805 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -63.33 -37.41 87.14 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.214 0.531 . . . . 0.0 109.725 178.326 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 96.4 mtp -70.49 -38.43 74.37 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.655 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 1.2 mp -59.2 -39.2 78.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.533 -179.646 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 83.9 mtp180 -67.87 -26.21 65.9 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.345 179.814 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -95.82 -3.41 45.64 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.641 179.43 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -87.97 -78.12 0.33 Allowed 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.745 -178.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . 0.471 ' CG ' ' N ' ' A' ' 130' ' ' ILE . 14.6 t0 164.45 -96.29 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.817 0 CA-C-O 121.384 0.612 . . . . 0.0 110.679 179.858 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 130' ' ' ILE . . . . . 0.471 ' N ' ' CG ' ' A' ' 129' ' ' ASP . 1.0 OUTLIER . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 114.985 -1.007 . . . . 0.0 110.725 -179.142 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.131 0 CA-C-O 119.719 -0.49 . . . . 0.0 112.994 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . 0.418 ' OE1' ' O ' ' A' ' 135' ' ' GLN . 0.0 OUTLIER -123.95 148.59 46.78 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-N 117.531 0.666 . . . . 0.0 110.881 179.345 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 8.2 t -133.38 135.3 56.35 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.171 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.94 -179.381 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -90.5 110.26 21.38 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.659 -0.7 . . . . 0.0 109.852 178.81 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 38.0 p90 -65.86 -13.56 59.81 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 120.816 -0.354 . . . . 0.0 111.852 -179.003 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 60.5 mp0 -58.91 -48.16 82.45 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 120.08 -0.648 . . . . 0.0 110.821 -178.46 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -62.11 -43.1 99.56 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.65 -0.42 . . . . 0.0 111.005 -179.695 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -58.77 -48.02 82.67 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.179 -0.464 . . . . 0.0 109.969 179.4 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 55.1 t -64.12 -42.58 96.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.841 179.784 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 80.2 mm-40 -61.67 -41.05 97.02 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 108.546 -0.909 . . . . 0.0 108.546 178.504 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 2.3 ttt -66.73 -49.23 66.68 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.195 -0.911 . . . . 0.0 110.431 178.711 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 64.1 mtt . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.868 179.794 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 56.1 p30 . . . . . 0 N--CA 1.457 -0.095 0 CA-C-O 121.065 0.46 . . . . 0.0 109.963 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -102.46 110.05 62.01 Favored Pre-proline 0 CA--C 1.537 0.448 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.224 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 75.4 Cg_exo -50.6 -29.65 25.79 Favored 'Trans proline' 0 N--CA 1.495 1.58 0 C-N-CA 121.824 1.682 . . . . 0.0 111.926 179.475 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -60.41 -41.89 94.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.528 -179.811 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 97.1 m -61.15 -45.79 93.19 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.829 0.347 . . . . 0.0 110.396 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -62.0 -44.05 97.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.399 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 23.6 mmt85 -63.54 -40.14 96.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.352 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -61.91 -39.98 93.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.168 179.531 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -61.41 -39.89 92.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.652 179.832 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 54.6 t -61.66 -46.32 96.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.726 -179.308 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 45' ' ' ALA . . . . . 0.531 ' O ' ' NE2' ' B' ' 49' ' ' GLN . . . -61.31 -43.9 98.1 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.646 -0.421 . . . . 0.0 110.85 -179.272 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 46' ' ' ILE . . . . . 0.403 HG22 HD12 ' B' ' 46' ' ' ILE . 97.4 mt -62.65 -47.43 92.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-O 121.052 0.454 . . . . 0.0 109.813 179.839 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 47' ' ' GLN . . . . . 0.447 ' OE1' ' CD2' ' A' ' 116' ' ' LEU . 76.6 mt-30 -66.57 -39.58 88.56 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.356 179.366 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 48.2 t -60.87 -45.75 93.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.825 0.345 . . . . 0.0 110.622 -179.57 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . 0.531 ' NE2' ' O ' ' B' ' 45' ' ' ALA . 2.5 mp0 -65.24 -35.91 82.5 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.898 179.692 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 50' ' ' PHE . . . . . 0.612 ' CE2' ' NE2' ' B' ' 54' ' ' GLN . 38.8 t80 -59.03 -48.5 81.35 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.666 -0.414 . . . . 0.0 110.601 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -62.56 -40.03 95.55 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.883 -0.327 . . . . 0.0 110.57 179.722 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 64.7 tttm -61.87 -41.26 97.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.376 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 53' ' ' PHE . . . . . . . . . . . . . 61.3 t80 -59.5 -43.01 93.44 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.373 -179.649 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 54' ' ' GLN . . . . . 0.612 ' NE2' ' CE2' ' B' ' 50' ' ' PHE . 58.0 mt-30 -61.12 -40.05 92.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.726 -179.552 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 14.4 tmtt? . . . . . 0 C--N 1.33 -0.247 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.712 -179.731 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 67.8 m . . . . . 0 CA--C 1.522 -0.097 0 CA-C-O 120.682 0.277 . . . . 0.0 111.043 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -54.27 -31.17 53.06 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.268 0.556 . . . . 0.0 109.873 -179.748 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -70.37 -34.93 73.17 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.306 -0.861 . . . . 0.0 110.323 179.396 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -62.47 -47.16 85.2 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.771 -179.665 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 4.7 mm -66.62 -38.14 80.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.027 -0.533 . . . . 0.0 109.578 179.037 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . 0.62 ' CZ ' HH21 ' A' ' 90' ' ' ARG . 75.4 ttt180 -59.71 -38.14 80.8 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.21 -0.905 . . . . 0.0 110.957 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -57.5 -40.82 79.5 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 -179.703 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -59.76 -35.79 75.33 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.676 179.571 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 60.8 m-85 -77.16 -40.42 45.53 Favored 'General case' 0 C--N 1.331 -0.196 0 C-N-CA 120.678 -0.409 . . . . 0.0 110.442 178.223 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.62 HH21 ' CZ ' ' A' ' 86' ' ' ARG . 94.1 mtt-85 -51.2 -25.11 4.95 Favored 'General case' 0 CA--C 1.52 -0.2 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.823 -178.773 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 53.8 t -61.89 -39.38 83.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.157 178.72 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 22.2 m-85 -85.0 -21.12 29.61 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.035 -179.677 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 65.2 t0 -91.24 84.73 5.68 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 178.72 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.44 -20.92 27.44 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.753 -0.379 . . . . 0.0 110.907 -179.307 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -74.67 -27.31 60.36 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.643 -0.503 . . . . 0.0 109.643 178.629 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 71.37 26.72 72.84 Favored Glycine 0 CA--C 1.526 0.749 0 N-CA-C 110.701 -0.96 . . . . 0.0 110.701 -179.699 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . 0.443 ' OD1' ' N ' ' A' ' 99' ' ' TYR . 56.2 p30 -94.14 -0.87 55.01 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 121.057 -0.257 . . . . 0.0 111.369 -179.823 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . 0.416 ' C ' ' CD1' ' A' ' 99' ' ' TYR . . . 92.93 10.78 59.59 Favored Glycine 0 CA--C 1.531 1.051 0 C-N-CA 120.947 -0.644 . . . . 0.0 111.56 179.829 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.462 ' N ' ' CD1' ' A' ' 99' ' ' TYR . 16.9 m-85 -136.87 158.54 44.22 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-O 121.208 0.527 . . . . 0.0 112.207 -179.787 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -130.63 145.56 35.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 N-CA-C 107.593 -1.262 . . . . 0.0 107.593 177.842 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 67.2 m -59.98 130.34 46.24 Favored 'General case' 0 C--N 1.323 -0.553 0 C-N-CA 119.815 -0.754 . . . . 0.0 110.179 -179.571 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -64.15 -39.35 93.83 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.077 0.465 . . . . 0.0 111.075 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -60.82 -42.02 96.86 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 113.018 0.747 . . . . 0.0 113.018 -177.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -69.85 -28.39 65.63 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 120.358 -0.537 . . . . 0.0 110.601 -178.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 3.4 tt -60.82 -47.8 84.69 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.848 -0.427 . . . . 0.0 109.848 179.596 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 8.7 tmm_? -56.59 -49.8 73.83 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.632 -0.427 . . . . 0.0 110.078 -179.481 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . 0.496 ' O ' ' N ' ' A' ' 111' ' ' ASN . 83.8 t60 -61.15 -46.35 90.88 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-O 121.332 0.587 . . . . 0.0 110.437 179.517 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 63.2 t -61.32 -39.42 82.62 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 115.113 -0.949 . . . . 0.0 110.879 -179.808 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.8 -29.25 63.12 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.953 -179.521 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 69.8 p -104.01 -14.0 16.11 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 120.67 -0.412 . . . . 0.0 111.894 -178.44 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . 0.496 ' N ' ' O ' ' A' ' 107' ' ' HIS . 61.3 t30 -107.12 -48.96 3.37 Favored 'General case' 0 N--CA 1.466 0.365 0 N-CA-C 112.39 0.515 . . . . 0.0 112.39 -179.094 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 86.5 mt -93.17 167.35 11.82 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-O 121.086 0.47 . . . . 0.0 111.987 -178.573 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 61.02 -115.01 7.25 Favored Glycine 0 CA--C 1.521 0.445 0 CA-C-N 115.705 -0.68 . . . . 0.0 111.997 178.432 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . 0.464 ' N ' ' OE1' ' B' ' 47' ' ' GLN . 99.2 mt-10 -115.9 96.26 5.5 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 179.197 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 5.2 mtpm? -37.29 116.18 0.45 Allowed 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.718 -178.24 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -86.51 156.17 20.2 Favored 'General case' 0 C--N 1.332 -0.153 0 N-CA-C 107.925 -1.139 . . . . 0.0 107.925 177.788 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 67.0 p -89.01 165.58 14.46 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.205 -0.598 . . . . 0.0 109.782 178.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . 0.449 ' OD1' ' N ' ' A' ' 118' ' ' ASP . 11.1 p-10 -58.24 -40.14 80.97 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 120.569 -0.453 . . . . 0.0 110.3 -179.875 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . 0.434 ' OE1' ' OD1' ' A' ' 118' ' ' ASP . 60.9 mp0 -62.7 -41.76 99.3 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.167 179.841 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -69.96 -43.22 72.0 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.861 179.315 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 55.7 t -63.21 -43.01 98.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 116.238 -0.437 . . . . 0.0 109.987 179.38 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -55.38 -39.43 70.12 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 120.182 -0.607 . . . . 0.0 109.744 -178.839 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 78.6 mm-40 -63.01 -38.08 89.77 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 178.304 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 96.0 mtp -70.41 -39.65 74.35 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.883 -179.707 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 1.1 mp -57.96 -39.48 72.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.469 -179.409 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 34.5 mmt180 -68.0 -27.3 66.44 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.488 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -95.69 -8.07 35.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.004 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -82.34 -73.58 0.39 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.239 -179.166 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . 0.486 ' CG ' ' N ' ' A' ' 130' ' ' ILE . 13.6 t0 159.67 -96.33 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.799 0 O-C-N 123.703 0.627 . . . . 0.0 110.267 179.815 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 130' ' ' ILE . . . . . 0.486 ' N ' ' CG ' ' A' ' 129' ' ' ASP . 0.8 OUTLIER . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 115.038 -0.983 . . . . 0.0 110.844 -179.284 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.728 0 N-CA-C 111.889 -0.484 . . . . 0.0 111.889 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 20.0 pt20 -125.46 144.8 50.37 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-O 121.18 0.514 . . . . 0.0 111.096 179.575 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 27.1 t -128.83 134.01 65.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.395 -0.82 . . . . 0.0 111.833 -179.456 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . 0.457 ' OD1' ' O ' ' A' ' 137' ' ' ASN . 9.9 p30 -91.9 113.44 25.71 Favored 'General case' 0 N--CA 1.452 -0.37 0 N-CA-C 109.23 -0.656 . . . . 0.0 109.23 178.439 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 40.2 p90 -62.98 -8.63 7.62 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 112.394 0.516 . . . . 0.0 112.394 -178.305 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -59.67 -50.14 75.03 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 119.956 -0.698 . . . . 0.0 110.737 -179.329 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -60.82 -39.34 88.61 Favored 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 120.985 -0.286 . . . . 0.0 111.44 -178.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -60.79 -43.77 97.69 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 178.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 55.1 t -65.09 -46.08 92.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.219 179.108 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 76.5 mt-30 -63.03 -41.02 99.42 Favored 'General case' 0 CA--C 1.519 -0.243 0 N-CA-C 108.968 -0.752 . . . . 0.0 108.968 178.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 2.2 ttp -60.66 -47.76 84.79 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.294 -0.866 . . . . 0.0 109.234 178.15 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 9.2 mtm . . . . . 0 C--N 1.326 -0.416 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.777 179.961 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 37.2 t70 . . . . . 0 N--CA 1.464 0.233 0 N-CA-C 112.163 0.431 . . . . 0.0 112.163 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.16 135.18 90.76 Favored Pre-proline 0 CA--C 1.538 0.487 0 C-N-CA 120.659 -0.416 . . . . 0.0 110.802 -178.736 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -70.71 -22.81 27.24 Favored 'Trans proline' 0 N--CA 1.492 1.417 0 C-N-CA 122.187 1.925 . . . . 0.0 112.451 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 75.4 mm-40 -62.57 -39.91 95.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.627 -179.732 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 99.8 m -61.41 -48.91 79.05 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.829 -179.712 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -65.22 -40.97 94.82 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.359 0.6 . . . . 0.0 109.401 179.177 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 24.7 tpt180 -60.59 -45.42 94.05 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.125 -0.943 . . . . 0.0 110.193 179.818 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -61.45 -39.05 89.45 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.85 -0.613 . . . . 0.0 110.344 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -60.6 -38.93 86.31 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.55 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 55.3 t -60.5 -46.35 95.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.272 -179.483 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -61.17 -46.66 89.59 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 120.502 -0.479 . . . . 0.0 110.856 -179.487 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 88.8 mt -64.54 -47.33 89.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-O 120.879 0.371 . . . . 0.0 111.071 179.581 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 47' ' ' GLN . . . . . 0.464 ' OE1' ' N ' ' A' ' 114' ' ' GLU . 76.3 mt-30 -65.85 -40.9 92.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.337 -179.707 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 48.0 t -62.45 -45.12 94.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.034 0.445 . . . . 0.0 110.562 179.832 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 94.7 mm-40 -64.3 -38.12 89.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.183 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 50' ' ' PHE . . . . . 0.626 ' CE2' ' NE2' ' B' ' 54' ' ' GLN . 53.5 t80 -58.07 -47.3 83.59 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.717 -0.393 . . . . 0.0 110.31 -179.87 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 63.4 ttm-85 -60.3 -41.24 92.99 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.227 179.522 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 65.0 tttp -60.16 -39.36 86.16 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.274 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 53' ' ' PHE . . . . . . . . . . . . . 47.8 t80 -58.56 -42.82 88.8 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.122 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 54' ' ' GLN . . . . . 0.626 ' NE2' ' CE2' ' B' ' 50' ' ' PHE . 76.3 mt-30 -62.47 -40.21 95.91 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.27 -179.717 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 21.7 mtmt . . . . . 0 C--N 1.331 -0.217 0 C-N-CA 120.894 -0.322 . . . . 0.0 110.952 -179.789 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 89.6 p . . . . . 0 CA--C 1.522 -0.129 0 CA-C-O 120.92 0.39 . . . . 0.0 110.37 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -54.67 -36.61 64.79 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 -179.426 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 3.0 pp20? -67.46 -31.74 72.11 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.766 179.279 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 15.6 tm-20 -63.14 -47.1 84.18 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-O 121.138 0.494 . . . . 0.0 110.106 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 4.5 mm -67.43 -35.23 72.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.623 -0.717 . . . . 0.0 109.579 178.798 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . 0.572 ' CZ ' ' NH2' ' A' ' 90' ' ' ARG . 56.9 ttp180 -58.06 -38.72 76.85 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.334 -0.848 . . . . 0.0 110.25 -179.875 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -58.82 -41.86 87.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.111 -0.495 . . . . 0.0 109.846 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.42 -38.21 86.29 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.515 179.169 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 35.0 m-85 -72.27 -42.74 65.24 Favored 'General case' 0 C--N 1.332 -0.164 0 C-N-CA 120.441 -0.504 . . . . 0.0 109.833 178.162 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.572 ' NH2' ' CZ ' ' A' ' 86' ' ' ARG . 93.7 mtt180 -45.94 -25.7 0.59 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.602 -178.806 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 54.1 t -61.99 -39.59 84.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 C-N-CA 120.904 -0.319 . . . . 0.0 110.507 178.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 27.5 m-85 -83.33 -25.1 31.78 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 120.763 -0.375 . . . . 0.0 110.454 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.437 ' OD1' ' N ' ' A' ' 96' ' ' GLY . 62.1 t0 -92.13 81.38 5.04 Favored 'General case' 0 C--N 1.332 -0.181 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 178.752 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 65.5 pttt -70.27 -19.4 63.11 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 112.451 0.537 . . . . 0.0 112.451 -179.115 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -92.56 -21.92 19.82 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.751 -179.781 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . 0.437 ' N ' ' OD1' ' A' ' 93' ' ' ASP . . . 68.49 36.21 83.22 Favored Glycine 0 CA--C 1.523 0.543 0 N-CA-C 109.846 -1.302 . . . . 0.0 109.846 -179.111 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 56.4 t30 -91.68 -3.18 56.6 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.687 0.279 . . . . 0.0 110.632 -179.802 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . 0.406 ' C ' ' CD1' ' A' ' 99' ' ' TYR . . . 93.73 6.98 61.86 Favored Glycine 0 CA--C 1.529 0.917 0 C-N-CA 121.187 -0.53 . . . . 0.0 111.87 179.696 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.473 ' N ' ' CD1' ' A' ' 99' ' ' TYR . 15.1 m-85 -136.97 159.76 40.91 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-O 121.005 0.431 . . . . 0.0 111.403 -179.864 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.7 pt -131.2 146.16 34.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 N-CA-C 108.438 -0.949 . . . . 0.0 108.438 178.701 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 67.6 m -65.58 100.45 0.52 Allowed 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 120.077 -0.649 . . . . 0.0 110.737 -179.494 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -40.66 -30.86 0.13 Allowed 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 112.67 0.618 . . . . 0.0 112.67 -178.102 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -61.21 -39.49 90.44 Favored 'General case' 0 C--N 1.323 -0.564 0 C-N-CA 120.529 -0.469 . . . . 0.0 111.301 -179.3 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -73.76 -30.68 62.93 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.694 -0.403 . . . . 0.0 110.861 -179.381 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 3.8 tt -60.05 -49.19 78.65 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.496 -0.482 . . . . 0.0 109.944 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 8.4 tmm_? -57.43 -50.28 73.51 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.5 -0.48 . . . . 0.0 109.978 -179.338 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . 0.539 ' ND1' ' ND2' ' A' ' 111' ' ' ASN . 73.8 t60 -60.29 -47.16 87.21 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.252 0.549 . . . . 0.0 110.847 179.367 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 66.1 t -62.13 -39.06 82.53 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 115.326 -0.852 . . . . 0.0 111.448 -179.737 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.75 -26.44 60.66 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.735 -179.238 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 52.3 p -99.49 -11.94 20.62 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 112.544 0.572 . . . . 0.0 112.544 -178.091 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . 0.539 ' ND2' ' ND1' ' A' ' 107' ' ' HIS . 68.2 m-80 -118.1 -27.09 6.19 Favored 'General case' 0 N--CA 1.47 0.567 0 N-CA-C 113.036 0.754 . . . . 0.0 113.036 -179.042 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 90.5 mt -113.5 -179.38 3.62 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-O 121.324 0.583 . . . . 0.0 111.585 -179.225 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 62.21 -123.41 31.09 Favored Glycine 0 CA--C 1.525 0.69 0 CA-C-N 115.261 -0.881 . . . . 0.0 112.448 178.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . 0.466 ' N ' ' OE1' ' B' ' 47' ' ' GLN . 80.3 mm-40 -100.26 15.77 26.52 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.457 -0.371 . . . . 0.0 110.996 -179.49 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.44 ' O ' ' O ' ' A' ' 114' ' ' GLU . 49.0 mttm 46.32 103.47 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.628 -0.715 . . . . 0.0 111.256 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -91.71 155.35 18.35 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.694 -0.685 . . . . 0.0 109.545 179.166 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 66.9 p -91.43 169.38 10.83 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.257 -0.645 . . . . 0.0 109.257 178.559 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -59.04 -39.29 81.53 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 120.493 -0.483 . . . . 0.0 110.379 -179.43 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -62.37 -44.17 97.1 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.849 -0.34 . . . . 0.0 110.663 179.698 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -67.55 -42.93 81.85 Favored 'General case' 0 C--N 1.332 -0.189 0 C-N-CA 120.804 -0.358 . . . . 0.0 110.617 179.159 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 53.2 t -63.73 -46.47 94.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.298 179.283 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 68.3 t0 -49.94 -41.48 46.39 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 120.249 -0.58 . . . . 0.0 109.529 -179.388 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . 0.537 ' OE1' ' NH2' ' A' ' 126' ' ' ARG . 53.1 tp10 -62.41 -38.7 90.69 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 178.518 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 96.2 mtp -70.51 -38.93 74.37 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.689 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 1.3 mp -60.17 -42.0 88.67 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.332 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.332 -179.029 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . 0.537 ' NH2' ' OE1' ' A' ' 123' ' ' GLU . 86.9 mtm180 -66.85 -26.12 66.75 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.873 0.368 . . . . 0.0 110.629 -179.882 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . 0.428 ' O ' ' OE2' ' A' ' 140' ' ' GLU . 80.3 mm-40 -95.93 -0.17 51.15 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.913 179.653 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . 0.462 ' O ' ' OE2' ' A' ' 140' ' ' GLU . . . -91.78 -77.26 0.43 Allowed 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 121.023 -0.271 . . . . 0.0 111.557 -179.082 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . 0.426 ' CG ' ' O ' ' A' ' 128' ' ' ALA . 1.2 m-20 168.86 -94.69 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.443 0 CA-C-O 120.919 0.39 . . . . 0.0 110.73 -179.832 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 22.3 mt . . . . . 0 C--N 1.326 -0.441 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.895 179.794 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.528 0.853 0 N-CA-C 111.827 -0.509 . . . . 0.0 111.827 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 8.7 pt20 -120.41 145.97 46.66 Favored 'General case' 0 N--CA 1.463 0.194 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 178.5 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 5.0 t -127.11 134.38 66.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 121.096 0.474 . . . . 0.0 111.95 -178.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . 0.428 ' OD1' ' O ' ' A' ' 137' ' ' ASN . 36.5 p-10 -89.56 109.51 20.45 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 108.864 -0.791 . . . . 0.0 108.864 178.31 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 29.9 p90 -64.42 -8.45 13.47 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 120.628 -0.429 . . . . 0.0 111.715 -178.542 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -59.82 -49.95 75.72 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 120.346 -0.542 . . . . 0.0 111.078 -178.836 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . 0.462 ' OE2' ' O ' ' A' ' 128' ' ' ALA . 24.2 pt-20 -62.23 -38.11 87.94 Favored 'General case' 0 N--CA 1.463 0.224 0 C-N-CA 120.438 -0.505 . . . . 0.0 110.729 -179.036 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -61.11 -42.61 98.83 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.568 -0.53 . . . . 0.0 109.568 179.153 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 56.0 t -63.23 -41.19 91.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 178.483 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 88.0 mm-40 -61.55 -41.37 97.27 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.175 -0.676 . . . . 0.0 109.175 178.756 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 70.8 mtp -60.08 -44.46 94.75 Favored 'General case' 0 C--N 1.333 -0.116 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 179.015 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 65.3 mtt . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 115.51 -0.768 . . . . 0.0 111.592 -179.798 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 66.7 t0 . . . . . 0 C--O 1.231 0.098 0 N-CA-C 111.532 0.197 . . . . 0.0 111.532 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -59.71 137.58 89.96 Favored Pre-proline 0 CA--C 1.536 0.431 0 C-N-CA 120.583 -0.447 . . . . 0.0 110.401 -179.102 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -70.14 -22.2 30.64 Favored 'Trans proline' 0 N--CA 1.493 1.464 0 C-N-CA 122.332 2.021 . . . . 0.0 112.866 -179.565 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 59.8 mp0 -62.24 -40.29 95.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.477 -179.606 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 95.2 m -62.46 -45.83 91.27 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.792 -0.363 . . . . 0.0 110.228 179.742 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -62.87 -43.06 99.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.106 179.589 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 18.7 mmm180 -63.32 -40.48 97.46 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.502 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -61.86 -40.21 94.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.09 179.71 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -61.68 -39.2 90.57 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.733 179.821 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 53.4 t -60.6 -47.22 93.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.507 -179.173 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -61.77 -45.78 92.42 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.694 -0.402 . . . . 0.0 111.234 -179.274 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 91.6 mt -63.61 -47.81 89.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-O 121.062 0.458 . . . . 0.0 110.573 179.763 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 47' ' ' GLN . . . . . 0.466 ' OE1' ' N ' ' A' ' 114' ' ' GLU . 76.6 mt-30 -66.7 -39.56 88.13 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.426 179.852 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 96.7 p -62.35 -40.76 97.47 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 120.668 -0.413 . . . . 0.0 110.529 -179.502 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 29.3 mm100 -69.23 -37.99 78.29 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.933 179.38 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 50' ' ' PHE . . . . . 0.417 ' CZ ' ' NE2' ' B' ' 54' ' ' GLN . 59.4 t80 -59.3 -49.25 78.54 Favored 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 120.762 -0.375 . . . . 0.0 110.639 -179.296 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 63.3 ttm-85 -61.3 -45.05 96.08 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 120.699 -0.4 . . . . 0.0 110.189 179.72 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -61.29 -41.21 96.57 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 179.548 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 53' ' ' PHE . . . . . . . . . . . . . 91.2 t80 -58.98 -46.19 88.72 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.106 179.678 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 54' ' ' GLN . . . . . 0.417 ' NE2' ' CZ ' ' B' ' 50' ' ' PHE . 91.4 mt-30 -61.9 -40.4 95.32 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.098 -179.798 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 19.1 mmmt . . . . . 0 C--N 1.33 -0.262 0 CA-C-O 120.774 0.321 . . . . 0.0 110.967 -179.242 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 68.7 m . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.548 0.213 . . . . 0.0 111.255 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 3.2 pp20? -53.98 -31.7 51.67 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.184 0.516 . . . . 0.0 110.048 -179.758 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 24.2 pt-20 -69.88 -36.14 75.22 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.186 179.316 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -62.27 -47.49 84.12 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.551 -179.763 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 4.1 mm -65.28 -39.06 84.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 121.293 0.568 . . . . 0.0 109.491 178.651 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 79.9 ttt180 -59.64 -36.81 77.11 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.051 -0.977 . . . . 0.0 110.722 179.859 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -57.02 -41.21 78.15 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.831 -0.433 . . . . 0.0 109.831 -179.467 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -59.86 -34.63 73.37 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.549 179.324 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.402 ' O ' ' N ' ' A' ' 92' ' ' PHE . 60.7 m-85 -73.63 -41.6 62.56 Favored 'General case' 0 C--N 1.332 -0.184 0 C-N-CA 120.469 -0.492 . . . . 0.0 110.194 178.074 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -43.08 -30.11 0.41 Allowed 'General case' 0 CA--C 1.52 -0.179 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.129 -179.203 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 53.1 t -61.94 -41.26 90.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.706 179.616 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.427 ' CD1' ' OE1' ' A' ' 104' ' ' GLU . 23.1 m-85 -82.52 -27.72 31.54 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.495 -0.482 . . . . 0.0 110.056 179.461 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 67.9 t0 -92.02 96.51 10.39 Favored 'General case' 0 C--N 1.333 -0.13 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 178.802 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 60.8 mttt -97.87 -17.28 19.37 Favored 'General case' 0 CA--C 1.514 -0.43 0 CA-C-O 121.096 0.474 . . . . 0.0 110.1 -179.261 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 74.1 m-20 -80.49 -26.95 37.9 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.49 -0.777 . . . . 0.0 109.306 179.023 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 69.66 30.79 70.56 Favored Glycine 0 CA--C 1.523 0.536 0 N-CA-C 110.327 -1.109 . . . . 0.0 110.327 -179.663 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -94.86 -1.35 52.88 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 121.109 -0.236 . . . . 0.0 110.723 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . 0.415 ' C ' ' CD1' ' A' ' 99' ' ' TYR . . . 93.64 10.37 59.14 Favored Glycine 0 CA--C 1.529 0.91 0 C-N-CA 120.918 -0.658 . . . . 0.0 111.652 179.823 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.447 ' N ' ' CD1' ' A' ' 99' ' ' TYR . 17.8 m-85 -137.01 158.22 44.95 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-O 121.205 0.526 . . . . 0.0 112.239 -179.497 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -130.41 146.38 34.13 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.093 0 N-CA-C 107.42 -1.326 . . . . 0.0 107.42 177.335 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 43.6 t -59.12 131.04 49.85 Favored 'General case' 0 C--N 1.323 -0.572 0 C-N-CA 119.685 -0.806 . . . . 0.0 109.986 -179.562 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -63.64 -36.9 85.36 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.126 0.488 . . . . 0.0 110.607 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -59.52 -41.98 91.22 Favored 'General case' 0 CA--C 1.535 0.388 0 N-CA-C 112.772 0.656 . . . . 0.0 112.772 -178.012 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.427 ' OE1' ' CD1' ' A' ' 92' ' ' PHE . 0.7 OUTLIER -66.48 -28.66 68.75 Favored 'General case' 0 N--CA 1.465 0.299 0 C-N-CA 120.261 -0.576 . . . . 0.0 110.686 -179.289 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 1.8 tt -61.9 -48.58 79.81 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.064 -179.729 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 14.5 tpt180 -55.9 -51.08 68.88 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.421 -179.812 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . 0.632 ' NE2' HD21 ' A' ' 111' ' ' ASN . 81.3 t60 -64.63 -47.72 77.5 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.18 0.514 . . . . 0.0 111.637 179.551 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 53.1 t -62.45 -39.19 83.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.717 -0.674 . . . . 0.0 112.815 -178.707 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.11 -29.56 65.41 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 120.681 -0.408 . . . . 0.0 111.608 -179.378 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 57.2 p -105.55 -13.2 15.68 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 112.474 0.546 . . . . 0.0 112.474 -178.092 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . 0.632 HD21 ' NE2' ' A' ' 107' ' ' HIS . 65.0 t30 -104.15 -38.23 7.0 Favored 'General case' 0 N--CA 1.464 0.261 0 N-CA-C 112.051 0.389 . . . . 0.0 112.051 -179.348 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 84.5 mt -111.21 -178.69 3.52 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.194 0.521 . . . . 0.0 111.476 -179.128 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 64.27 -123.37 27.57 Favored Glycine 0 CA--C 1.525 0.673 0 CA-C-N 115.322 -0.854 . . . . 0.0 112.679 178.836 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . 0.46 ' N ' ' OE1' ' B' ' 47' ' ' GLN . 98.6 mt-10 -100.92 12.81 36.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.009 0.433 . . . . 0.0 111.196 -179.046 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.427 ' O ' ' O ' ' A' ' 114' ' ' GLU . 92.7 mttt 48.99 103.31 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.641 -0.708 . . . . 0.0 111.023 179.795 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -92.79 157.73 16.26 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.096 179.821 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 69.2 p -91.53 169.87 10.4 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 109.697 -0.483 . . . . 0.0 109.697 178.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -59.56 -39.99 85.84 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.754 -0.378 . . . . 0.0 110.583 -179.565 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 53.2 tp10 -62.27 -43.25 99.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.34 179.818 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . 0.4 ' OE1' ' NE2' ' B' ' 54' ' ' GLN . 77.6 mm-40 -67.94 -41.41 82.56 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.002 0.429 . . . . 0.0 110.302 179.134 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 71.2 t -66.07 -44.04 92.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.569 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 68.1 t0 -57.59 -42.76 83.83 Favored 'General case' 0 C--N 1.323 -0.548 0 C-N-CA 120.226 -0.59 . . . . 0.0 109.949 -178.714 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 53.7 tp10 -62.05 -39.53 92.69 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 178.847 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 124' ' ' MET . . . . . 0.615 ' SD ' ' CD1' ' B' ' 50' ' ' PHE . 47.4 mmm -64.87 -39.46 93.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.053 179.099 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -61.87 -40.49 87.28 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.148 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.055 -179.275 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 12.6 tpt180 -60.98 -30.1 70.07 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.043 0.449 . . . . 0.0 109.811 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 -96.4 -1.8 46.87 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.402 179.094 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . 0.438 ' O ' ' OD1' ' A' ' 129' ' ' ASP . . . -90.42 -78.75 0.37 Allowed 'General case' 0 CA--C 1.531 0.223 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.178 -179.299 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . 0.519 ' OD2' ' ND2' ' A' ' 137' ' ' ASN . 3.7 m-20 166.59 -92.67 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.505 0 CA-C-O 120.872 0.367 . . . . 0.0 111.849 179.77 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 130' ' ' ILE . . . . . 0.477 ' CG2' ' O ' ' A' ' 130' ' ' ILE . 96.1 mt . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.268 -177.688 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.91 0 N-CA-C 112.245 -0.342 . . . . 0.0 112.245 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 16.1 pt20 -125.41 149.51 48.11 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-O 121.178 0.513 . . . . 0.0 110.868 179.535 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 25.4 t -132.49 134.65 58.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 115.368 -0.833 . . . . 0.0 111.995 -179.097 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . 0.519 ' ND2' ' OD2' ' A' ' 129' ' ' ASP . 8.9 p30 -91.08 111.18 22.54 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.694 -0.685 . . . . 0.0 109.525 178.731 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 39.0 p90 -63.23 -8.7 8.86 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.568 -0.453 . . . . 0.0 111.583 -178.703 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 74.0 mm-40 -59.89 -49.83 76.14 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 120.156 -0.618 . . . . 0.0 110.978 -179.346 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 75.7 mm-40 -61.05 -39.37 89.58 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 120.709 0.29 . . . . 0.0 111.384 -179.102 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -63.03 -42.83 99.86 Favored 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 120.488 -0.485 . . . . 0.0 110.201 179.156 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 55.1 t -64.14 -39.2 84.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.599 179.021 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 28.8 mm100 -59.89 -43.07 95.01 Favored 'General case' 0 C--N 1.331 -0.201 0 C-N-CA 120.234 -0.587 . . . . 0.0 109.587 179.714 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 73.3 mtm -61.27 -42.71 99.11 Favored 'General case' 0 C--N 1.333 -0.122 0 C-N-CA 119.979 -0.688 . . . . 0.0 109.158 178.748 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 56.3 mtt . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 115.597 -0.729 . . . . 0.0 111.441 -179.859 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.808 0.337 . . . . 0.0 110.565 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -67.06 131.55 93.73 Favored Pre-proline 0 CA--C 1.537 0.466 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.27 -179.826 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -70.92 -21.49 28.03 Favored 'Trans proline' 0 N--CA 1.493 1.442 0 C-N-CA 121.978 1.786 . . . . 0.0 112.691 -179.762 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -62.57 -40.31 96.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.926 -179.512 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 96.7 m -62.4 -45.15 94.42 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.548 -179.75 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -61.88 -43.53 98.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.154 179.802 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 18.2 mmm180 -63.4 -40.52 97.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.65 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -61.92 -40.75 96.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.584 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -61.86 -39.48 92.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.661 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 53.5 t -61.47 -45.17 99.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.473 -179.464 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -60.83 -46.98 88.42 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.627 -0.429 . . . . 0.0 111.032 -179.279 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 92.1 mt -67.32 -47.68 80.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 C-N-CA 120.82 -0.352 . . . . 0.0 111.166 179.811 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 47' ' ' GLN . . . . . 0.46 ' OE1' ' N ' ' A' ' 114' ' ' GLU . 77.1 mt-30 -65.52 -41.14 93.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.985 -179.741 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 48.2 t -62.4 -44.21 97.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.101 0.477 . . . . 0.0 110.061 179.537 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 72.2 tp60 -63.38 -38.34 90.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.501 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 50' ' ' PHE . . . . . 0.615 ' CD1' ' SD ' ' A' ' 124' ' ' MET . 44.9 t80 -58.71 -48.05 82.47 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.374 -179.173 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 83.2 mtp180 -61.24 -41.0 96.13 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.356 -0.538 . . . . 0.0 110.306 -179.747 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 65.2 tttp -62.14 -41.57 98.4 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 179.122 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 53' ' ' PHE . . . . . . . . . . . . . 90.2 t80 -59.34 -45.88 90.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.608 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 54' ' ' GLN . . . . . 0.4 ' NE2' ' OE1' ' A' ' 120' ' ' GLU . 87.5 mt-30 -61.29 -39.42 90.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.759 -179.396 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 98.1 mttt . . . . . 0 C--N 1.329 -0.318 0 C-N-CA 120.799 -0.361 . . . . 0.0 110.356 179.916 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 90.7 p . . . . . 0 N--CA 1.465 0.315 0 CA-C-O 120.927 0.394 . . . . 0.0 110.445 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -53.25 -38.28 62.85 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 -179.582 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 22.1 pt-20 -64.0 -34.61 78.39 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.6 179.505 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -62.13 -47.9 82.54 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-O 120.916 0.388 . . . . 0.0 110.647 -179.374 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 4.3 mm -65.28 -38.39 82.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.042 -0.526 . . . . 0.0 109.827 179.045 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 42.1 ttm180 -59.3 -38.38 80.1 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.448 -0.796 . . . . 0.0 111.001 179.684 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 53.6 tp10 -56.64 -39.16 73.21 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 -179.625 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.54 -36.49 78.55 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.712 179.496 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 71.9 m-85 -75.88 -40.26 54.88 Favored 'General case' 0 C--N 1.332 -0.19 0 C-N-CA 120.686 -0.406 . . . . 0.0 110.69 178.625 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -49.31 -27.86 4.3 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.659 -178.318 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 55.1 t -61.41 -39.59 83.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 C-N-CA 121.063 -0.255 . . . . 0.0 110.782 179.102 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 28.8 m-85 -85.5 -22.47 28.17 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.649 -0.421 . . . . 0.0 111.079 -179.577 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 63.9 t0 -89.03 74.69 8.08 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 179.264 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 64.2 pttt -71.39 -28.21 63.87 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.925 0.393 . . . . 0.0 111.476 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -72.42 -25.84 61.63 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.83 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 69.36 27.16 73.89 Favored Glycine 0 CA--C 1.526 0.747 0 N-CA-C 110.625 -0.99 . . . . 0.0 110.625 -179.798 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -92.52 -3.01 55.78 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.677 0.275 . . . . 0.0 110.889 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 97.24 -5.67 63.17 Favored Glycine 0 CA--C 1.528 0.873 0 N-CA-C 111.433 -0.667 . . . . 0.0 111.433 -179.83 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.501 ' N ' ' CD1' ' A' ' 99' ' ' TYR . 12.8 m-85 -122.34 160.41 25.43 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.103 0.478 . . . . 0.0 111.378 -178.63 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -131.67 145.9 34.33 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 N-CA-C 108.079 -1.082 . . . . 0.0 108.079 178.527 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 68.8 m -57.52 130.02 44.44 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 120.028 -0.669 . . . . 0.0 110.448 -179.342 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -63.33 -39.72 95.34 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.118 0.485 . . . . 0.0 110.769 179.778 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -57.44 -42.93 83.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.683 -0.69 . . . . 0.0 109.734 -178.843 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 -60.03 -39.24 85.22 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.073 179.111 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 13.2 tp -59.58 -47.86 83.93 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.671 0.272 . . . . 0.0 110.456 -178.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . 0.518 ' NH2' ' OD1' ' A' ' 118' ' ' ASP . 44.9 tpt85 -57.05 -49.5 75.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.562 -0.29 . . . . 0.0 110.534 -179.367 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . 0.584 ' NE2' ' ND2' ' A' ' 111' ' ' ASN . 85.7 t60 -63.11 -49.12 75.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.105 0.479 . . . . 0.0 111.602 179.538 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 50.8 t -62.16 -38.63 81.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.691 -0.686 . . . . 0.0 112.658 -179.06 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' MET . . . . . 0.405 ' N ' ' SD ' ' A' ' 109' ' ' MET . 0.0 OUTLIER -68.97 -32.67 72.43 Favored 'General case' 0 C--N 1.321 -0.634 0 C-N-CA 120.723 -0.391 . . . . 0.0 111.377 -179.657 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' THR . . . . . 0.413 ' CG2' ' NH1' ' A' ' 106' ' ' ARG . 41.0 p -106.24 -12.06 15.84 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 112.648 0.61 . . . . 0.0 112.648 -177.799 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . 0.584 ' ND2' ' NE2' ' A' ' 107' ' ' HIS . 65.5 t30 -103.88 -33.65 8.79 Favored 'General case' 0 N--CA 1.466 0.342 0 C-N-CA 120.701 -0.399 . . . . 0.0 112.051 -179.564 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 84.2 mt -116.97 -177.76 3.28 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.403 0.621 . . . . 0.0 111.512 -178.795 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 62.45 -127.17 39.25 Favored Glycine 0 CA--C 1.526 0.721 0 CA-C-N 114.983 -1.008 . . . . 0.0 112.571 178.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . 0.485 ' N ' ' OE1' ' B' ' 47' ' ' GLN . 80.5 mm-40 -92.89 9.33 35.88 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.996 0.427 . . . . 0.0 111.22 -178.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 10.8 mmmt 52.39 100.09 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.452 179.549 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -90.93 156.36 18.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.28 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 67.6 p -92.66 171.01 9.28 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.8 -0.445 . . . . 0.0 109.8 178.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . 0.518 ' OD1' ' NH2' ' A' ' 106' ' ' ARG . 98.5 m-20 -60.28 -40.16 89.43 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 120.604 -0.438 . . . . 0.0 110.262 -179.866 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -61.4 -43.16 99.34 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.669 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -69.35 -45.0 70.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.955 0.407 . . . . 0.0 110.728 179.406 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 82.8 t -64.85 -42.83 95.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.48 -179.444 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -49.79 -41.36 44.29 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 120.313 -0.555 . . . . 0.0 110.395 -177.721 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 78.9 mm-40 -66.55 -31.42 72.12 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.22 0.533 . . . . 0.0 109.78 178.686 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 94.6 mtp -76.06 -30.31 58.33 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.084 179.489 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -61.2 -41.6 90.16 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.149 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.965 -179.35 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 20.8 mmm-85 -61.79 -63.58 1.22 Allowed 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.228 -0.589 . . . . 0.0 110.142 -179.519 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . 0.436 ' O ' ' OE2' ' A' ' 140' ' ' GLU . 79.9 mm-40 -60.07 -6.96 1.56 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.434 -178.644 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . 0.423 ' O ' ' OE2' ' A' ' 140' ' ' GLU . . . -77.9 -75.66 0.21 Allowed 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.834 -0.347 . . . . 0.0 110.887 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . 0.464 ' CG ' ' N ' ' A' ' 130' ' ' ILE . 2.4 t70 162.91 -85.05 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.35 0 CA-C-O 121.425 0.631 . . . . 0.0 110.616 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 130' ' ' ILE . . . . . 0.464 ' N ' ' CG ' ' A' ' 129' ' ' ASP . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.496 0 CA-C-N 114.956 -1.02 . . . . 0.0 110.982 -179.056 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.528 0.863 0 CA-C-O 120.034 -0.314 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . 0.42 ' O ' ' OD2' ' A' ' 129' ' ' ASP . 1.0 OUTLIER -128.72 151.0 50.03 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 121.353 0.597 . . . . 0.0 111.288 179.59 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 27.3 t -132.45 134.06 59.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.187 -0.915 . . . . 0.0 111.949 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -91.99 110.94 22.31 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 108.645 -0.872 . . . . 0.0 108.645 178.663 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 33.2 p90 -65.0 -10.11 26.95 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 112.659 0.614 . . . . 0.0 112.659 -178.182 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -60.86 -50.5 73.19 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 119.984 -0.686 . . . . 0.0 111.793 -178.654 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . 0.436 ' OE2' ' O ' ' A' ' 127' ' ' GLU . 20.9 pt-20 -63.52 -36.91 85.35 Favored 'General case' 0 N--CA 1.465 0.286 0 C-N-CA 120.616 -0.434 . . . . 0.0 111.187 -178.904 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -62.1 -47.08 86.21 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 178.583 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 59.4 t -62.97 -43.88 99.32 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.796 179.537 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -62.13 -40.95 97.64 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 108.442 -0.947 . . . . 0.0 108.442 178.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 2.0 ttp -63.75 -48.25 77.73 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.106 -0.952 . . . . 0.0 109.551 178.13 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 62.4 mtt . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.424 179.794 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 . . . . . 0 C--O 1.23 0.06 0 CA-C-O 120.561 0.219 . . . . 0.0 111.107 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -92.35 112.09 53.64 Favored Pre-proline 0 CA--C 1.539 0.53 0 CA-C-N 116.548 -0.297 . . . . 0.0 110.669 -179.665 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_exo -52.26 -35.12 62.57 Favored 'Trans proline' 0 N--CA 1.497 1.718 0 C-N-CA 121.778 1.652 . . . . 0.0 112.197 179.288 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 78.8 mm-40 -61.23 -40.21 93.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.455 -179.366 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 97.2 m -61.82 -46.44 89.47 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.77 -0.372 . . . . 0.0 110.262 179.792 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -64.49 -40.44 95.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.529 179.627 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 30.9 mmt180 -63.57 -39.93 95.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.548 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -61.48 -40.66 95.34 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.263 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -61.95 -40.45 95.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.737 179.787 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 57.8 t -61.4 -47.75 91.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.338 -179.381 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 45' ' ' ALA . . . . . 0.455 ' O ' ' OE1' ' B' ' 49' ' ' GLN . . . -62.38 -45.1 94.69 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.775 -0.37 . . . . 0.0 111.063 -179.531 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 93.8 mt -63.06 -46.96 94.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-O 120.924 0.392 . . . . 0.0 110.498 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 47' ' ' GLN . . . . . 0.485 ' OE1' ' N ' ' A' ' 114' ' ' GLU . 76.7 mt-30 -65.76 -37.96 87.76 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.835 -0.62 . . . . 0.0 111.387 179.492 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 48' ' ' SER . . . . . 0.52 ' OG ' ' NZ ' ' B' ' 52' ' ' LYS . 48.4 t -59.53 -45.95 90.28 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.769 -0.373 . . . . 0.0 110.642 -179.291 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . 0.455 ' OE1' ' O ' ' B' ' 45' ' ' ALA . 7.3 mp0 -64.96 -36.15 83.48 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.785 -0.366 . . . . 0.0 111.068 179.488 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 59.3 t80 -59.06 -47.8 83.93 Favored 'General case' 0 C--N 1.332 -0.159 0 C-N-CA 120.481 -0.488 . . . . 0.0 110.085 179.808 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 51' ' ' ARG . . . . . 0.409 ' HE ' ' HZ1' ' B' ' 55' ' ' LYS . 82.0 mtp180 -62.17 -40.45 96.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.929 0.395 . . . . 0.0 110.273 179.645 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 52' ' ' LYS . . . . . 0.52 ' NZ ' ' OG ' ' B' ' 48' ' ' SER . 62.7 mttp -63.98 -38.52 91.37 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.953 179.55 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 53' ' ' PHE . . . . . . . . . . . . . 68.1 t80 -59.31 -49.02 79.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.297 -178.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 17.9 pt20 -71.35 -38.14 71.62 Favored 'General case' 0 C--N 1.331 -0.212 0 C-N-CA 120.613 -0.435 . . . . 0.0 111.546 -179.445 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . 0.409 ' HZ1' ' HE ' ' B' ' 51' ' ' ARG . 62.1 mttp . . . . . 0 C--N 1.331 -0.237 0 C-N-CA 120.642 -0.423 . . . . 0.0 110.838 179.415 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 70.9 m . . . . . 0 CA--C 1.524 -0.056 0 CA-C-O 120.664 0.269 . . . . 0.0 110.724 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.475 ' CD ' ' N ' ' A' ' 83' ' ' GLU . 3.2 pp20? -58.45 -35.2 71.78 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 120.271 -0.572 . . . . 0.0 109.831 179.892 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.475 ' N ' ' CD ' ' A' ' 82' ' ' GLU . 0.5 OUTLIER -68.3 -36.28 79.09 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.51 179.198 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -62.51 -41.37 98.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.081 0.467 . . . . 0.0 109.94 179.515 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 38.5 mm -64.81 -42.42 94.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.381 179.278 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -59.88 -36.05 76.12 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.143 -179.648 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -55.87 -40.29 72.74 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.4 -36.87 81.5 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.568 178.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 68.8 m-85 -75.75 -42.78 49.48 Favored 'General case' 0 C--O 1.231 0.118 0 C-N-CA 120.567 -0.453 . . . . 0.0 110.529 178.683 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -48.21 -24.27 1.11 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.5 -178.62 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 55.3 t -62.34 -39.46 84.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-O 120.709 0.29 . . . . 0.0 110.466 178.588 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 27.0 m-85 -87.68 -26.54 22.94 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.367 -0.378 . . . . 0.0 110.874 -179.695 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 45.4 t0 -88.71 71.4 8.75 Favored 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 179.254 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 26.4 pttm -71.1 -20.13 62.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.857 0.361 . . . . 0.0 111.738 -179.695 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -80.0 -26.55 39.85 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.502 179.77 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 69.14 29.42 72.18 Favored Glycine 0 CA--C 1.526 0.742 0 N-CA-C 110.642 -0.983 . . . . 0.0 110.642 -179.806 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . 0.423 ' OD1' ' N ' ' A' ' 99' ' ' TYR . 54.8 p30 -94.71 -0.51 54.25 Favored 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 120.972 -0.291 . . . . 0.0 110.663 179.571 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 92.94 8.55 61.71 Favored Glycine 0 CA--C 1.529 0.939 0 C-N-CA 121.129 -0.558 . . . . 0.0 111.866 179.627 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.457 ' N ' ' CD1' ' A' ' 99' ' ' TYR . 16.9 m-85 -136.22 158.16 45.08 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-O 121.076 0.465 . . . . 0.0 111.5 -179.841 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -131.34 146.49 33.64 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.111 0 N-CA-C 108.031 -1.1 . . . . 0.0 108.031 178.168 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 36.2 t -59.06 130.29 46.27 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 119.794 -0.763 . . . . 0.0 110.158 -179.761 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -64.06 -38.4 90.94 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.918 0.39 . . . . 0.0 110.951 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -60.34 -41.57 93.89 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.092 -0.504 . . . . 0.0 112.283 -178.403 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -69.08 -31.02 69.46 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.455 -0.498 . . . . 0.0 110.522 -179.16 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 4.1 tt -61.32 -49.23 77.83 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.2 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . 0.406 ' CD ' ' C ' ' A' ' 106' ' ' ARG . 0.0 OUTLIER -57.13 -51.03 70.93 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 120.611 -0.435 . . . . 0.0 110.255 -179.77 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . 0.511 ' CE1' ' ND2' ' A' ' 111' ' ' ASN . 78.1 t60 -59.54 -46.57 88.5 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.25 0.547 . . . . 0.0 110.419 179.279 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 58.0 t -62.77 -39.37 84.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 115.396 -0.82 . . . . 0.0 111.313 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.74 -29.67 64.78 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.901 -0.591 . . . . 0.0 111.804 -179.64 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 64.1 p -104.88 -15.61 15.12 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 112.275 0.472 . . . . 0.0 112.275 -178.392 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . 0.511 ' ND2' ' CE1' ' A' ' 107' ' ' HIS . 60.0 t30 -106.16 -26.51 11.55 Favored 'General case' 0 N--CA 1.465 0.291 0 N-CA-C 112.29 0.478 . . . . 0.0 112.29 -178.9 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 77.6 mt -121.86 -178.26 3.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.395 0.617 . . . . 0.0 111.67 -178.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 61.7 -123.66 32.37 Favored Glycine 0 CA--C 1.524 0.614 0 CA-C-N 114.897 -1.047 . . . . 0.0 112.381 178.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . 0.5 ' N ' ' OE1' ' B' ' 47' ' ' GLN . 79.6 mm-40 -97.15 12.32 33.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.813 0.339 . . . . 0.0 111.23 -179.106 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.457 ' O ' ' O ' ' A' ' 114' ' ' GLU . 51.3 mttp 47.58 104.1 0.0 OUTLIER 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.749 -0.659 . . . . 0.0 111.043 179.544 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -92.57 156.14 17.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.245 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 69.9 p -91.7 170.4 9.94 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 109.835 -0.432 . . . . 0.0 109.835 179.292 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -59.04 -41.5 88.0 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.747 -0.381 . . . . 0.0 110.763 -179.072 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -63.14 -42.58 99.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.577 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 76.3 mm-40 -67.09 -39.64 86.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.279 0.561 . . . . 0.0 109.727 178.658 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 51.6 t -61.06 -44.69 98.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.182 -0.917 . . . . 0.0 110.765 179.659 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -57.96 -42.14 84.33 Favored 'General case' 0 C--N 1.32 -0.685 0 C-N-CA 120.319 -0.552 . . . . 0.0 109.804 -179.467 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -63.11 -40.07 96.54 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 178.689 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 124' ' ' MET . . . . . 0.601 ' SD ' ' CD1' ' B' ' 50' ' ' PHE . 36.5 mmm -65.34 -41.15 94.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.055 -0.975 . . . . 0.0 110.702 -179.882 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -68.13 -34.87 69.06 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.155 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.658 -179.717 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 61.6 ttp180 -60.34 -33.77 72.89 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.067 0.461 . . . . 0.0 110.355 179.866 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 -96.42 -3.49 43.42 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.0 179.448 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . 0.404 ' O ' ' CG ' ' A' ' 129' ' ' ASP . . . -86.3 -75.61 0.38 Allowed 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 112.048 0.388 . . . . 0.0 112.048 -178.607 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . 0.404 ' CG ' ' O ' ' A' ' 128' ' ' ALA . 1.0 OUTLIER 168.97 -90.26 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.442 0 CA-C-O 121.128 0.489 . . . . 0.0 112.267 -179.818 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 130' ' ' ILE . . . . . 0.481 ' CG2' ' O ' ' A' ' 130' ' ' ILE . 68.9 mt . . . . . 0 C--N 1.325 -0.474 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.929 -177.843 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.953 0 N-CA-C 111.995 -0.442 . . . . 0.0 111.995 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 12.0 pt20 -125.68 151.47 46.53 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-O 121.119 0.485 . . . . 0.0 110.633 179.249 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 43.9 t -128.12 134.46 65.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.455 -0.793 . . . . 0.0 111.84 -178.809 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . 0.44 ' OD1' ' O ' ' A' ' 137' ' ' ASN . 37.6 p-10 -93.08 110.71 22.19 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.574 178.491 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 37.8 p90 -60.96 -7.6 2.56 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.79 -0.364 . . . . 0.0 111.813 -178.783 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -59.94 -49.64 76.88 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 120.028 -0.669 . . . . 0.0 110.581 -179.28 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -60.55 -42.09 95.85 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 121.01 -0.276 . . . . 0.0 111.057 -179.229 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -59.63 -47.69 84.6 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 179.122 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 54.3 t -62.93 -44.43 99.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.099 179.424 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -61.86 -40.34 95.0 Favored 'General case' 0 N--CA 1.454 -0.238 0 N-CA-C 108.315 -0.995 . . . . 0.0 108.315 178.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 5.9 ttp -62.01 -47.9 82.7 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 114.813 -1.085 . . . . 0.0 109.701 178.132 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 64.9 mtt . . . . . 0 C--N 1.329 -0.283 0 N-CA-C 112.002 0.371 . . . . 0.0 112.002 179.937 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 55.5 p30 . . . . . 0 N--CA 1.456 -0.126 0 CA-C-O 120.905 0.383 . . . . 0.0 110.215 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -90.35 113.7 58.44 Favored Pre-proline 0 CA--C 1.539 0.542 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.193 179.704 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 80.0 Cg_exo -50.54 -32.65 35.82 Favored 'Trans proline' 0 N--CA 1.498 1.772 0 C-N-CA 121.9 1.733 . . . . 0.0 112.305 179.289 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -60.87 -39.17 88.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.818 -179.424 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 93.9 m -61.9 -43.81 98.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.849 0.357 . . . . 0.0 110.388 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -61.98 -40.26 95.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.652 -179.61 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 31.7 mmt180 -63.2 -39.88 95.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.798 0.332 . . . . 0.0 110.28 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -61.87 -39.86 93.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.219 179.58 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -61.02 -39.58 90.31 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.624 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 57.5 t -61.34 -46.6 96.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.488 -179.381 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -61.36 -45.78 92.98 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.597 -0.441 . . . . 0.0 110.978 -179.417 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 92.2 mt -64.09 -47.42 90.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.853 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 47' ' ' GLN . . . . . 0.5 ' OE1' ' N ' ' A' ' 114' ' ' GLU . 77.3 mt-30 -66.24 -39.1 89.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.355 179.85 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 74.5 m -61.24 -42.28 98.34 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.863 -0.335 . . . . 0.0 110.6 -179.635 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 96.8 mm-40 -64.71 -39.18 93.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.464 179.604 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 50' ' ' PHE . . . . . 0.601 ' CD1' ' SD ' ' A' ' 124' ' ' MET . 47.3 t80 -58.97 -47.37 85.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.639 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 89.1 mtm180 -60.94 -40.3 92.75 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.587 -0.445 . . . . 0.0 110.042 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 62.9 mttp -65.32 -39.2 92.16 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.929 179.626 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 53' ' ' PHE . . . . . . . . . . . . . 71.8 t80 -60.28 -49.44 77.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.662 -178.818 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 18.8 pt20 -68.3 -28.14 66.92 Favored 'General case' 0 C--N 1.332 -0.192 0 C-N-CA 120.751 -0.38 . . . . 0.0 111.099 -179.532 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 17.6 mmmt . . . . . 0 C--N 1.329 -0.321 0 CA-C-O 120.901 0.382 . . . . 0.0 110.198 179.149 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 67.5 m . . . . . 0 N--CA 1.463 0.18 0 CA-C-O 120.959 0.409 . . . . 0.0 110.434 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -56.58 -39.25 73.21 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.368 -0.604 . . . . 0.0 109.368 -179.527 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.407 ' CG ' ' N ' ' A' ' 84' ' ' GLU . 22.8 pt-20 -64.47 -38.14 89.98 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.559 179.508 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.407 ' N ' ' CG ' ' A' ' 83' ' ' GLU . 98.0 mt-10 -62.9 -46.29 88.53 Favored 'General case' 0 C--O 1.232 0.143 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.436 -179.226 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 4.2 mm -67.77 -39.01 81.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 178.662 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 41.8 ttm180 -59.56 -37.53 78.7 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.076 -0.965 . . . . 0.0 110.434 179.288 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -56.27 -39.88 73.35 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.634 -179.645 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -59.44 -32.74 70.49 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.539 179.344 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.437 ' O ' ' OD1' ' A' ' 93' ' ' ASP . 84.4 m-85 -79.73 -38.92 32.27 Favored 'General case' 0 CA--C 1.53 0.18 0 C-N-CA 120.656 -0.418 . . . . 0.0 110.064 178.144 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -53.86 -25.73 21.19 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.715 -178.671 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 54.9 t -60.43 -38.35 77.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 178.41 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 10.0 m-85 -88.88 -24.19 22.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.305 179.762 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.534 ' N ' ' OD1' ' A' ' 93' ' ' ASP . 0.0 OUTLIER -86.36 75.08 9.86 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-O 121.335 0.588 . . . . 0.0 110.174 179.921 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 19.5 mtpt -92.29 -18.81 22.87 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 59.8 t0 -70.54 -28.45 64.93 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.499 -0.773 . . . . 0.0 109.489 178.828 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 72.29 18.8 78.37 Favored Glycine 0 CA--C 1.526 0.758 0 CA-C-N 115.63 -0.714 . . . . 0.0 111.329 179.385 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 52.1 p-10 -90.65 -3.87 57.2 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.701 -0.4 . . . . 0.0 111.384 -179.788 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 95.42 -6.64 68.36 Favored Glycine 0 CA--C 1.53 0.998 0 N-CA-C 111.489 -0.644 . . . . 0.0 111.489 179.79 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.469 ' CD1' ' N ' ' A' ' 99' ' ' TYR . 12.0 m-85 -123.5 161.24 25.28 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.05 0.452 . . . . 0.0 111.366 -178.663 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -128.22 141.48 46.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 N-CA-C 107.584 -1.265 . . . . 0.0 107.584 177.889 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 70.8 m -60.08 135.65 57.78 Favored 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 119.807 -0.757 . . . . 0.0 110.034 -179.386 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -63.6 -36.79 84.97 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.081 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -60.13 -41.65 93.12 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 112.281 0.475 . . . . 0.0 112.281 -178.519 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.435 ' O ' ' CG2' ' A' ' 108' ' ' VAL . 4.7 pt-20 -68.21 -32.16 72.17 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.351 -0.54 . . . . 0.0 110.333 -179.34 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 2.7 tt -61.8 -47.86 83.23 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.634 -0.506 . . . . 0.0 109.634 179.356 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 29.3 tpt85 -55.79 -50.59 70.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.212 -179.137 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . 0.631 ' NE2' HD21 ' A' ' 111' ' ' ASN . 82.7 t60 -63.28 -46.48 86.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.296 0.569 . . . . 0.0 110.882 179.08 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.435 ' CG2' ' O ' ' A' ' 104' ' ' GLU . 63.9 t -62.13 -41.75 92.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 115.178 -0.919 . . . . 0.0 111.884 -179.105 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.49 -28.29 62.8 Favored 'General case' 0 N--CA 1.465 0.322 0 N-CA-C 111.843 0.312 . . . . 0.0 111.843 -179.339 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 58.4 p -104.47 -16.25 15.13 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 120.679 -0.409 . . . . 0.0 111.97 -178.621 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . 0.631 HD21 ' NE2' ' A' ' 107' ' ' HIS . 57.6 t30 -108.75 -48.72 3.26 Favored 'General case' 0 N--CA 1.466 0.355 0 N-CA-C 112.642 0.608 . . . . 0.0 112.642 -178.736 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . 0.473 ' O ' ' O ' ' A' ' 113' ' ' GLY . 89.1 mt -92.98 139.29 30.68 Favored 'General case' 0 N--CA 1.465 0.325 0 N-CA-C 111.883 0.327 . . . . 0.0 111.883 -178.555 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . 0.566 ' O ' ' C ' ' A' ' 114' ' ' GLU . . . 57.23 125.34 0.01 OUTLIER Glycine 0 C--N 1.335 0.492 0 N-CA-C 111.352 -0.699 . . . . 0.0 111.352 178.653 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . 0.566 ' C ' ' O ' ' A' ' 113' ' ' GLY . 2.9 tt0 10.23 94.49 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.583 0 O-C-N 124.129 0.547 . . . . 0.0 110.836 179.729 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 62.6 mttp -53.77 136.83 39.33 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.695 -176.761 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -90.74 157.86 17.19 Favored 'General case' 0 CA--C 1.529 0.142 0 CA-C-N 115.657 -0.701 . . . . 0.0 109.125 178.75 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 72.7 p -92.28 169.45 10.58 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 120.785 -0.366 . . . . 0.0 110.112 179.396 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 68.3 t0 -57.69 -42.82 84.41 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.93 -0.308 . . . . 0.0 110.834 -179.255 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 -62.39 -41.55 98.73 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.781 -0.368 . . . . 0.0 110.566 -179.767 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -69.82 -40.25 76.02 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.1 178.78 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 55.3 t -64.06 -45.61 96.13 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.254 0 CA-C-O 120.99 0.424 . . . . 0.0 110.66 178.752 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . 0.525 ' OD1' ' NH1' ' A' ' 126' ' ' ARG . 68.5 t0 -55.9 -43.18 77.03 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 120.354 -0.538 . . . . 0.0 110.288 -178.873 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 53.7 tp10 -62.06 -38.27 88.13 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.191 -0.67 . . . . 0.0 109.191 178.64 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 124' ' ' MET . . . . . 0.51 ' SD ' ' CE1' ' B' ' 50' ' ' PHE . 50.7 mmm -68.89 -39.06 79.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.931 179.492 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 1.2 mp -63.77 -37.42 79.65 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.222 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.019 -179.315 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . 0.525 ' NH1' ' OD1' ' A' ' 122' ' ' ASP . 82.1 mtt85 -66.0 -27.22 67.97 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.936 0.398 . . . . 0.0 110.576 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 -96.35 -6.14 38.33 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.2 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . 0.448 ' O ' ' CB ' ' A' ' 129' ' ' ASP . . . -84.99 -73.27 0.44 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.3 -179.073 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . 0.448 ' CB ' ' O ' ' A' ' 128' ' ' ALA . 1.5 m-20 161.89 -97.05 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.628 0 CA-C-O 120.824 0.345 . . . . 0.0 111.018 179.555 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 73.8 mt . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.16 -178.972 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.1 0 CA-C-O 119.88 -0.4 . . . . 0.0 113.542 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -119.29 149.98 40.89 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 117.466 0.633 . . . . 0.0 109.645 178.291 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 45.3 t -131.89 135.05 59.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 121.138 0.494 . . . . 0.0 111.945 -179.261 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -95.24 110.18 22.2 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.602 -0.727 . . . . 0.0 109.491 178.498 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 45.9 p90 -59.88 -11.27 5.14 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 120.606 -0.437 . . . . 0.0 111.598 -178.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -59.68 -50.04 75.4 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 119.705 -0.798 . . . . 0.0 109.956 -179.41 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -59.6 -41.69 90.9 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 120.913 -0.315 . . . . 0.0 110.636 -179.334 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . 0.536 ' O ' ' SD ' ' A' ' 145' ' ' MET . 3.6 m-85 -62.1 -41.52 98.29 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.323 -0.551 . . . . 0.0 109.884 178.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 53.3 t -63.35 -40.64 89.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 C-N-CA 120.333 -0.547 . . . . 0.0 110.129 178.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 86.5 mm-40 -60.79 -40.91 94.39 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 109.146 -0.687 . . . . 0.0 109.146 179.213 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 144' ' ' MET . . . . . 0.465 ' O ' ' CE1' ' B' ' 53' ' ' PHE . 71.7 mtp -60.62 -45.72 92.95 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.479 179.408 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 145' ' ' MET . . . . . 0.536 ' SD ' ' O ' ' A' ' 141' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--N 1.331 -0.205 0 CA-C-N 115.954 -0.567 . . . . 0.0 111.33 -179.857 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 55.2 p30 . . . . . 0 CA--C 1.529 0.137 0 N-CA-C 111.61 0.226 . . . . 0.0 111.61 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -101.73 148.31 35.09 Favored Pre-proline 0 CA--C 1.532 0.286 0 C-N-CA 120.764 -0.375 . . . . 0.0 110.442 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -68.7 -27.84 31.52 Favored 'Trans proline' 0 N--CA 1.492 1.423 0 C-N-CA 122.422 2.081 . . . . 0.0 112.599 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -63.16 -40.9 98.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.842 -179.756 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 97.3 m -62.44 -49.43 75.46 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.16 -179.441 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -66.52 -42.97 86.47 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.27 0.557 . . . . 0.0 109.727 179.292 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 29.1 tpt180 -61.51 -44.47 97.02 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.223 -0.899 . . . . 0.0 110.514 179.709 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -60.83 -40.13 91.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.412 -179.831 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -61.36 -41.77 97.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.281 179.779 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 59.4 t -63.15 -43.89 99.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.317 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -60.62 -46.31 90.77 Favored 'General case' 0 N--CA 1.463 0.211 0 C-N-CA 120.705 -0.398 . . . . 0.0 111.175 -179.054 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 91.4 mt -64.49 -46.3 93.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-O 121.154 0.502 . . . . 0.0 110.101 179.267 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 47' ' ' GLN . . . . . 0.453 ' OE1' ' O ' ' A' ' 113' ' ' GLY . 81.7 mt-30 -64.52 -41.25 96.51 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.422 -0.808 . . . . 0.0 111.544 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 75.1 m -61.9 -43.8 98.11 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.784 -0.366 . . . . 0.0 110.333 -179.411 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 8.2 tp-100 -67.48 -38.23 84.06 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 179.349 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 50' ' ' PHE . . . . . 0.51 ' CE1' ' SD ' ' A' ' 124' ' ' MET . 40.6 t80 -59.05 -48.03 83.06 Favored 'General case' 0 C--N 1.333 -0.114 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.128 -179.724 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 44.1 ttm180 -59.56 -45.24 92.41 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 120.618 -0.433 . . . . 0.0 110.358 -179.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 64.8 tttm -62.02 -40.45 95.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.055 0.455 . . . . 0.0 109.923 179.356 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 53' ' ' PHE . . . . . 0.465 ' CE1' ' O ' ' A' ' 144' ' ' MET . 86.5 t80 -58.8 -44.04 90.66 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.611 -179.869 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 54' ' ' GLN . . . . . 0.474 ' NE2' ' CZ ' ' B' ' 50' ' ' PHE . 91.4 mt-30 -59.99 -40.28 88.62 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.82 -179.119 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 62.5 mttp . . . . . 0 C--N 1.33 -0.275 0 C-N-CA 120.799 -0.36 . . . . 0.0 110.674 179.802 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 66.1 m . . . . . 0 CA--C 1.52 -0.199 0 CA-C-O 120.769 0.319 . . . . 0.0 110.76 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 15.8 tm-20 -56.9 -38.84 73.38 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.249 -0.649 . . . . 0.0 109.249 179.744 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.413 ' OE2' ' OE2' ' A' ' 84' ' ' GLU . 1.2 pp20? -67.61 -35.26 78.61 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.728 179.283 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.413 ' OE2' ' OE2' ' A' ' 83' ' ' GLU . 79.8 mm-40 -63.92 -44.8 91.82 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-O 120.913 0.387 . . . . 0.0 110.795 -179.735 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 4.2 mm -68.13 -38.63 80.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 121.282 0.563 . . . . 0.0 109.741 178.826 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 80.1 ttt180 -60.35 -38.55 84.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.204 -0.907 . . . . 0.0 110.533 179.592 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -57.54 -38.58 74.97 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.788 -0.642 . . . . 0.0 109.967 -179.655 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -59.97 -34.45 73.31 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.526 179.428 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 74.4 m-85 -75.12 -39.86 60.25 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.359 -0.536 . . . . 0.0 110.344 178.239 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 1.2 mpt_? -44.5 -30.44 0.88 Allowed 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.484 -179.402 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 52.5 t -60.98 -39.7 83.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.975 179.679 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 16.4 m-85 -87.53 -26.58 23.09 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 120.768 -0.373 . . . . 0.0 110.525 -179.698 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.446 ' OD1' ' O ' ' A' ' 99' ' ' TYR . 38.6 t70 -89.99 68.99 7.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.309 -0.405 . . . . 0.0 109.926 179.053 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 26.5 pttm -76.99 -20.11 56.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.014 0.435 . . . . 0.0 111.153 179.612 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . 0.526 ' OD2' ' ND2' ' A' ' 97' ' ' ASN . 51.4 t0 -73.72 -28.65 61.82 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.333 179.648 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 73.87 21.77 78.86 Favored Glycine 0 CA--C 1.528 0.878 0 N-CA-C 111.265 -0.734 . . . . 0.0 111.265 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . 0.526 ' ND2' ' OD2' ' A' ' 95' ' ' ASP . 98.6 m-20 -91.46 -4.25 55.77 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 120.833 -0.347 . . . . 0.0 111.313 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . 0.429 ' C ' ' CD1' ' A' ' 99' ' ' TYR . . . 93.36 11.59 58.22 Favored Glycine 0 CA--C 1.532 1.152 0 C-N-CA 120.805 -0.712 . . . . 0.0 111.479 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.446 ' O ' ' OD1' ' A' ' 93' ' ' ASP . 18.9 m-85 -136.9 157.59 46.39 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-O 121.159 0.504 . . . . 0.0 112.163 -179.722 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -129.07 142.01 45.14 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 177.657 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 67.9 m -58.87 130.4 46.77 Favored 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 119.87 -0.732 . . . . 0.0 110.043 -179.372 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -63.26 -38.24 90.39 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.976 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -60.05 -40.26 88.82 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.656 0.613 . . . . 0.0 112.656 -178.152 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -70.38 -28.6 65.22 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.59 -0.444 . . . . 0.0 110.674 -179.057 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 3.4 tt -60.53 -48.64 80.89 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . 0.445 ' CZ ' ' CG1' ' A' ' 121' ' ' VAL . 7.9 tpp180 -55.16 -51.59 66.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.251 -0.431 . . . . 0.0 109.922 179.84 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 79.3 t60 -61.11 -47.59 85.59 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.111 0.481 . . . . 0.0 111.237 179.637 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 53.8 t -61.38 -40.84 87.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 115.607 -0.724 . . . . 0.0 112.119 -179.082 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.62 -29.15 64.34 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.23 -0.441 . . . . 0.0 112.075 -179.171 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 41.5 p -102.96 -11.43 18.2 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 112.37 0.507 . . . . 0.0 112.37 -177.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 24.0 t-20 -111.02 -49.18 3.04 Favored 'General case' 0 N--CA 1.467 0.376 0 N-CA-C 112.237 0.458 . . . . 0.0 112.237 -178.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 92.5 mt -92.83 163.47 13.7 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-O 121.214 0.53 . . . . 0.0 112.143 -178.693 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 63.61 -116.5 9.33 Favored Glycine 0 CA--C 1.523 0.542 0 CA-C-N 115.307 -0.86 . . . . 0.0 111.713 179.016 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . 0.522 ' O ' ' NE2' ' B' ' 47' ' ' GLN . 78.8 mm-40 -113.23 93.14 4.27 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.433 -0.58 . . . . 0.0 109.433 179.122 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 62.5 mttp -35.06 116.95 0.37 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.119 -0.491 . . . . 0.0 112.036 -178.022 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . 0.427 ' CD2' HE21 ' B' ' 47' ' ' GLN . 3.8 mm? -88.9 155.98 19.19 Favored 'General case' 0 N--CA 1.462 0.161 0 N-CA-C 108.687 -0.857 . . . . 0.0 108.687 178.36 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 59.4 p -88.96 165.64 14.44 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.829 -0.434 . . . . 0.0 109.829 178.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -59.8 -39.89 86.5 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 120.583 -0.447 . . . . 0.0 110.143 -179.665 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -61.89 -41.23 97.65 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.092 179.853 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -70.42 -43.67 69.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.98 178.736 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . 0.445 ' CG1' ' CZ ' ' A' ' 106' ' ' ARG . 79.2 t -65.48 -44.44 94.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.621 179.841 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -54.59 -39.17 67.55 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 120.049 -0.66 . . . . 0.0 109.234 -178.83 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -62.86 -38.21 89.92 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.801 -0.636 . . . . 0.0 109.342 178.07 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 97.0 mtp -69.9 -39.32 76.3 Favored 'General case' 0 C--O 1.231 0.131 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.663 179.622 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 1.2 mp -59.73 -37.79 72.84 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.137 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.571 -179.447 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -67.73 -26.66 66.25 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.527 179.648 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -96.11 -10.82 27.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.868 179.702 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . 0.446 ' O ' ' CB ' ' A' ' 129' ' ' ASP . . . -79.69 -70.98 0.47 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.406 -179.122 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . 0.446 ' CB ' ' O ' ' A' ' 128' ' ' ALA . 1.2 m-20 163.11 -93.67 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.559 0 CA-C-O 121.002 0.43 . . . . 0.0 111.377 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 130' ' ' ILE . . . . . 0.474 ' CG2' ' O ' ' A' ' 130' ' ' ILE . 76.7 mt . . . . . 0 C--N 1.325 -0.464 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.404 -178.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.664 0 N-CA-C 111.227 -0.749 . . . . 0.0 111.227 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -123.21 148.93 45.3 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 109.788 -0.449 . . . . 0.0 109.788 179.113 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 38.5 t -127.39 133.37 68.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.896 -179.096 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . 0.445 ' OD1' ' O ' ' A' ' 137' ' ' ASN . 43.3 p-10 -92.2 112.56 24.54 Favored 'General case' 0 N--CA 1.451 -0.407 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 178.489 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 38.9 p90 -62.63 -8.88 7.31 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 112.08 0.4 . . . . 0.0 112.08 -178.478 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 15.7 tm-20 -60.03 -50.97 71.64 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 119.882 -0.727 . . . . 0.0 110.784 -179.315 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -61.46 -40.33 94.12 Favored 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 120.732 -0.387 . . . . 0.0 110.857 -179.117 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -60.75 -46.8 89.03 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.519 -0.473 . . . . 0.0 109.87 178.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 53.6 t -63.12 -44.58 99.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 C-N-CA 120.703 -0.399 . . . . 0.0 110.468 179.384 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 10.7 tp-100 -61.53 -42.15 98.39 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 108.8 -0.815 . . . . 0.0 108.8 178.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 2.1 ttp -63.41 -48.73 76.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.394 -0.821 . . . . 0.0 109.537 178.041 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 10.5 tpp . . . . . 0 C--N 1.324 -0.518 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.844 -179.558 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 . . . . . 0 C--O 1.231 0.115 0 N-CA-C 111.622 0.23 . . . . 0.0 111.622 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.32 122.98 74.06 Favored Pre-proline 0 CA--C 1.541 0.601 0 C-N-CA 120.623 -0.431 . . . . 0.0 110.49 -179.218 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_exo -51.44 -34.09 49.66 Favored 'Trans proline' 0 N--CA 1.5 1.878 0 C-N-CA 121.967 1.778 . . . . 0.0 112.881 179.328 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -54.8 -39.44 68.48 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.851 -0.34 . . . . 0.0 111.057 -178.718 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 92.5 m -63.91 -44.09 94.0 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.529 -0.468 . . . . 0.0 110.136 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -62.97 -41.79 99.64 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.571 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 6.7 mmp_? -64.22 -39.51 94.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.241 179.82 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -61.31 -41.12 96.47 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.332 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -61.98 -39.6 92.71 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.536 179.746 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 53.2 t -61.22 -44.74 98.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.253 -179.659 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -60.64 -47.21 87.27 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.583 -0.447 . . . . 0.0 110.924 -179.338 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 92.9 mt -66.4 -47.2 84.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 C-N-CA 120.662 -0.415 . . . . 0.0 111.064 179.664 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 47' ' ' GLN . . . . . 0.522 ' NE2' ' O ' ' A' ' 114' ' ' GLU . 39.7 mt-30 -65.74 -41.46 92.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.234 -179.6 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 48.2 t -62.6 -46.16 89.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.2 -179.604 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 97.8 mm-40 -65.07 -38.14 89.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.948 -179.774 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 50' ' ' PHE . . . . . 0.617 ' CE2' ' NE2' ' B' ' 54' ' ' GLN . 63.5 t80 -58.55 -47.94 82.55 Favored 'General case' 0 C--N 1.332 -0.191 0 C-N-CA 120.93 -0.308 . . . . 0.0 110.83 -179.42 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 55.9 ttp180 -60.07 -42.99 95.73 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 120.736 -0.385 . . . . 0.0 110.196 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 64.9 tttm -61.91 -39.96 93.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.055 179.267 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 53' ' ' PHE . . . . . . . . . . . . . 40.2 t80 -58.71 -42.7 89.27 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.35 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 54' ' ' GLN . . . . . 0.617 ' NE2' ' CE2' ' B' ' 50' ' ' PHE . 57.0 mt-30 -61.08 -39.34 89.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.132 -179.337 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 68.4 mttm . . . . . 0 C--N 1.33 -0.247 0 C-N-CA 120.638 -0.425 . . . . 0.0 111.03 -179.265 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 85.8 p . . . . . 0 C--O 1.23 0.063 0 CA-C-O 120.426 0.155 . . . . 0.0 111.208 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 24.5 pt-20 -55.95 -35.68 66.95 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 120.412 -0.515 . . . . 0.0 110.227 -179.675 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -65.94 -37.03 84.97 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.373 179.087 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -62.39 -44.69 95.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.09 179.658 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 39.7 mm -66.78 -43.28 89.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.667 179.368 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -60.45 -35.92 76.98 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.861 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 16.1 tm-20 -55.52 -40.07 71.32 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.425 -0.584 . . . . 0.0 109.425 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.22 -35.12 74.72 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.971 179.513 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 89.5 m-85 -79.97 -40.36 28.16 Favored 'General case' 0 C--N 1.333 -0.143 0 C-N-CA 120.557 -0.457 . . . . 0.0 110.227 178.574 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -49.95 -25.11 2.98 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.346 -179.219 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 54.8 t -62.02 -39.57 84.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.276 178.663 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 16.0 m-85 -87.41 -25.74 23.65 Favored 'General case' 0 CA--C 1.53 0.182 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.713 -179.759 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 68.1 t0 -93.87 108.18 19.99 Favored 'General case' 0 CA--C 1.529 0.15 0 N-CA-C 109.169 -0.678 . . . . 0.0 109.169 178.777 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 52.5 mttp -97.55 -51.43 4.14 Favored 'General case' 0 CA--C 1.517 -0.304 0 CA-C-O 121.274 0.559 . . . . 0.0 110.403 -179.329 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . 0.437 ' OD1' ' O ' ' A' ' 95' ' ' ASP . 52.1 t0 -65.35 -17.64 64.68 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.301 -0.863 . . . . 0.0 111.217 -178.089 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 66.25 40.67 94.86 Favored Glycine 0 CA--C 1.521 0.416 0 C-N-CA 120.282 -0.961 . . . . 0.0 111.037 179.268 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 47.9 p-10 -88.05 -5.44 58.49 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 178.773 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 92.62 6.12 64.29 Favored Glycine 0 CA--C 1.529 0.924 0 CA-C-N 115.297 -0.865 . . . . 0.0 111.526 179.749 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.469 ' N ' ' CD1' ' A' ' 99' ' ' TYR . 12.0 m-85 -136.51 159.03 43.03 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-O 120.96 0.409 . . . . 0.0 110.934 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -130.36 148.28 33.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 N-CA-C 107.594 -1.261 . . . . 0.0 107.594 177.793 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 39.2 t -58.77 132.4 53.78 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 119.625 -0.83 . . . . 0.0 109.834 -179.525 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -65.02 -36.68 85.16 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.487 -179.679 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -59.29 -40.06 84.93 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.271 0.471 . . . . 0.0 112.271 -177.798 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.401 ' O ' ' CG2' ' A' ' 108' ' ' VAL . 6.1 pt-20 -69.45 -28.19 65.89 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.202 -0.599 . . . . 0.0 110.424 -179.313 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 28.3 tp -61.3 -48.06 83.1 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.045 -0.724 . . . . 0.0 109.045 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 2.1 tpt85 -56.36 -50.66 70.91 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.712 -0.677 . . . . 0.0 109.637 -179.289 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . 0.511 ' O ' ' N ' ' A' ' 111' ' ' ASN . 76.0 t60 -62.72 -46.23 89.04 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.137 0.494 . . . . 0.0 111.2 179.04 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.401 ' CG2' ' O ' ' A' ' 104' ' ' GLU . 67.2 t -61.14 -39.61 83.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.378 -0.828 . . . . 0.0 112.304 -178.551 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.61 -17.73 53.19 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.911 -0.316 . . . . 0.0 111.323 -179.273 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 54.5 p -108.67 -17.87 13.85 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.789 -0.365 . . . . 0.0 111.633 -178.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . 0.511 ' N ' ' O ' ' A' ' 107' ' ' HIS . 23.0 t-20 -112.61 -32.71 6.36 Favored 'General case' 0 N--CA 1.467 0.422 0 N-CA-C 112.509 0.559 . . . . 0.0 112.509 -179.065 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . 0.462 ' O ' ' O ' ' A' ' 113' ' ' GLY . 88.0 mt -108.9 138.64 44.93 Favored 'General case' 0 N--CA 1.466 0.363 0 N-CA-C 112.025 0.38 . . . . 0.0 112.025 -178.448 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . 0.553 ' O ' ' C ' ' A' ' 114' ' ' GLU . . . 55.4 124.32 0.01 OUTLIER Glycine 0 CA--C 1.523 0.543 0 CA-C-N 115.596 -0.729 . . . . 0.0 111.662 178.902 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . 0.553 ' C ' ' O ' ' A' ' 113' ' ' GLY . 45.8 mt-10 14.04 87.32 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.563 0 O-C-N 123.794 0.349 . . . . 0.0 111.319 179.457 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 62.3 mttp -47.11 134.43 10.77 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.265 -177.709 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -90.46 156.07 18.46 Favored 'General case' 0 C--N 1.332 -0.171 0 N-CA-C 108.879 -0.785 . . . . 0.0 108.879 178.743 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 68.6 p -86.02 164.16 17.53 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 179.081 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . 0.42 ' OD1' ' OD2' ' A' ' 122' ' ' ASP . 68.0 t0 -57.5 -42.06 82.01 Favored 'General case' 0 C--N 1.325 -0.487 0 C-N-CA 120.597 -0.441 . . . . 0.0 109.829 -179.748 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 60.3 mp0 -62.26 -40.85 97.57 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.429 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -70.26 -44.8 67.72 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.924 -0.31 . . . . 0.0 110.978 179.459 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 73.1 t -66.16 -42.88 92.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.674 -179.731 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . 0.42 ' OD2' ' OD1' ' A' ' 118' ' ' ASP . 98.4 m-20 -55.77 -39.39 71.17 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 119.915 -0.714 . . . . 0.0 109.668 -178.329 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 53.4 tp10 -62.79 -37.73 87.84 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.996 -0.547 . . . . 0.0 109.625 178.58 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 97.0 mtp -68.53 -38.98 81.33 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.195 179.662 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 1.2 mp -58.77 -41.0 81.31 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.154 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.896 -179.444 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 83.4 mtp180 -66.43 -25.55 66.8 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.895 0.378 . . . . 0.0 110.554 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -96.22 -11.95 25.32 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.641 179.518 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -78.85 -74.28 0.29 Allowed 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.52 -179.162 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . 0.526 ' CG ' ' N ' ' A' ' 130' ' ' ILE . 18.3 t70 166.49 -104.17 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.873 0 O-C-N 123.652 0.595 . . . . 0.0 110.856 179.407 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 130' ' ' ILE . . . . . 0.526 ' N ' ' CG ' ' A' ' 129' ' ' ASP . 1.2 mp . . . . . 0 C--N 1.332 -0.172 0 CA-C-N 115.454 -0.794 . . . . 0.0 111.665 -179.606 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.062 0 CA-C-O 119.902 -0.388 . . . . 0.0 113.653 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . 0.421 ' O ' ' OD2' ' A' ' 129' ' ' ASP . 6.9 pt20 -121.36 149.54 42.81 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 117.431 0.615 . . . . 0.0 109.634 178.223 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 35.4 t -126.23 135.13 64.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 N-CA-C 112.262 0.467 . . . . 0.0 112.262 -178.5 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -92.09 107.75 19.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.773 -0.649 . . . . 0.0 109.401 178.427 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 43.1 p90 -63.69 -14.71 54.66 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.801 -0.36 . . . . 0.0 111.641 -178.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 53.3 tp10 -59.4 -50.33 74.38 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.13 -0.628 . . . . 0.0 110.056 -179.355 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -60.76 -42.02 96.62 Favored 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 120.87 -0.332 . . . . 0.0 110.611 -179.559 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -59.31 -49.17 78.85 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 178.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 71.4 t -62.27 -43.76 98.36 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 C-N-CA 120.571 -0.452 . . . . 0.0 110.187 179.661 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 10.8 tp-100 -61.58 -42.52 98.98 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 178.716 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 2.2 ttp -62.69 -47.08 85.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.512 -0.767 . . . . 0.0 109.823 178.421 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 145' ' ' MET . . . . . 0.493 ' SD ' ' OE1' ' B' ' 49' ' ' GLN . 65.3 mtt . . . . . 0 C--N 1.326 -0.418 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.116 179.822 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 35' ' ' ASP . . . . . 0.532 ' OD1' ' N ' ' B' ' 36' ' ' ALA . 52.3 p-10 . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.503 0.192 . . . . 0.0 110.844 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 36' ' ' ALA . . . . . 0.532 ' N ' ' OD1' ' B' ' 35' ' ' ASP . . . -67.01 141.84 96.9 Favored Pre-proline 0 CA--C 1.534 0.337 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 179.479 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 47.2 Cg_endo -67.68 -26.62 39.13 Favored 'Trans proline' 0 N--CA 1.493 1.477 0 C-N-CA 122.058 1.838 . . . . 0.0 112.673 -179.496 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -63.83 -41.77 97.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.325 -179.484 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 93.0 m -63.39 -49.36 74.08 Favored 'General case' 0 C--N 1.332 -0.155 0 C-N-CA 120.618 -0.433 . . . . 0.0 110.974 -179.291 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -65.11 -43.41 92.08 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 121.315 0.579 . . . . 0.0 109.537 179.311 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 17.7 tpp180 -62.08 -42.3 99.07 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.234 -0.894 . . . . 0.0 110.273 179.156 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -60.52 -40.2 90.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.484 -179.837 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -61.39 -40.78 95.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.345 179.817 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 60.2 t -62.08 -45.93 97.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.539 -179.444 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -61.3 -44.01 97.92 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 120.799 -0.361 . . . . 0.0 111.009 -179.309 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 46' ' ' ILE . . . . . 0.416 HG23 HD12 ' B' ' 46' ' ' ILE . 92.5 mt -63.74 -45.86 96.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.299 179.624 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 47' ' ' GLN . . . . . 0.537 ' NE2' ' O ' ' A' ' 113' ' ' GLY . 93.6 mt-30 -63.69 -38.59 91.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.372 179.252 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 74.7 m -60.15 -41.75 93.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.05 -179.807 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . 0.493 ' OE1' ' SD ' ' A' ' 145' ' ' MET . 82.2 mt-30 -63.54 -40.6 97.43 Favored 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 120.608 -0.437 . . . . 0.0 110.496 179.319 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 56.2 t80 -60.19 -48.15 82.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.01 -179.055 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 51' ' ' ARG . . . . . 0.512 ' NH1' ' OE1' ' A' ' 114' ' ' GLU . 91.5 mtm180 -62.83 -41.54 99.37 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.626 -0.43 . . . . 0.0 110.646 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 56.3 mtmt -66.95 -39.33 87.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.161 179.672 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 53' ' ' PHE . . . . . . . . . . . . . 69.9 t80 -59.98 -49.63 76.92 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.895 -179.18 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 20.2 pt20 -72.0 -29.63 64.41 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.856 -0.338 . . . . 0.0 110.686 179.862 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 38.9 ttpt . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.266 179.681 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 1.7 ptt? . . . . . 0 N--CA 1.49 1.531 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 20.5 ttmm -113.13 124.6 52.94 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.889 0.376 . . . . 0.0 110.879 -179.683 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -106.0 171.95 7.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.977 179.391 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 73.3 p -65.32 -165.34 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.77 0.319 . . . . 0.0 110.764 -179.627 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -111.17 154.39 24.42 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.831 -179.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 67.5 m -80.4 -5.74 56.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.339 179.517 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -57.41 -37.68 73.13 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 -179.541 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 22.5 pt-20 -62.5 -32.55 73.48 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.35 -0.841 . . . . 0.0 110.468 179.37 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -63.76 -42.69 97.77 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.489 -179.719 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 4.4 mm -67.69 -39.33 81.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.262 179.248 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -61.62 -37.01 82.4 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.075 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 53.9 tp10 -55.32 -40.8 71.6 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 108.763 -0.829 . . . . 0.0 108.763 -179.694 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -59.53 -33.42 71.36 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.548 179.323 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 74.7 m-85 -81.94 -41.27 21.07 Favored 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 120.658 -0.417 . . . . 0.0 110.552 178.8 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 95.0 mtt-85 -53.17 -23.64 8.87 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.672 -178.621 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 54.6 t -60.43 -38.15 76.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.105 178.755 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 18.9 m-85 -87.36 -19.69 27.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.091 -179.386 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 58.0 t0 -88.82 73.26 8.46 Favored 'General case' 0 N--CA 1.464 0.262 0 N-CA-C 109.915 -0.402 . . . . 0.0 109.915 179.22 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.495 ' HZ3' ' CG ' ' B' ' 31' ' ' ASP . 65.1 pttt -70.69 -22.53 62.46 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.943 0.402 . . . . 0.0 111.396 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -76.72 -25.8 53.96 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.801 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 67.57 30.32 74.8 Favored Glycine 0 CA--C 1.526 0.776 0 N-CA-C 111.044 -0.822 . . . . 0.0 111.044 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . 0.748 HD21 ' H ' ' A' ' 99' ' ' TYR . 0.3 OUTLIER -98.61 -1.69 40.3 Favored 'General case' 0 C--N 1.33 -0.239 0 C-N-CA 120.874 -0.33 . . . . 0.0 110.925 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 94.62 8.1 59.79 Favored Glycine 0 CA--C 1.527 0.795 0 N-CA-C 111.312 -0.715 . . . . 0.0 111.312 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.748 ' H ' HD21 ' A' ' 97' ' ' ASN . 18.3 m-85 -135.52 156.9 48.15 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.983 0.42 . . . . 0.0 111.18 -179.738 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -130.42 145.5 35.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 178.187 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 41.3 t -58.84 134.75 57.17 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 119.69 -0.804 . . . . 0.0 109.763 -179.789 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -66.22 -37.5 85.69 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.849 0.357 . . . . 0.0 111.183 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -61.01 -42.14 97.88 Favored 'General case' 0 CA--C 1.535 0.38 0 N-CA-C 112.839 0.681 . . . . 0.0 112.839 -178.193 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -67.21 -26.36 66.57 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.436 -0.506 . . . . 0.0 110.791 -178.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 48.1 tp -61.96 -45.96 91.4 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.141 -0.688 . . . . 0.0 109.141 179.755 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 8.7 tmm_? -57.73 -50.74 72.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.221 -179.131 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . 0.624 ' NE2' HD21 ' A' ' 111' ' ' ASN . 82.8 t60 -61.43 -43.2 99.28 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.041 0.448 . . . . 0.0 110.518 179.787 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 67.2 t -62.84 -38.43 81.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 115.543 -0.753 . . . . 0.0 111.508 -179.792 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.63 -18.99 46.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.596 -179.077 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 81.0 p -108.57 -18.94 13.6 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.685 -0.406 . . . . 0.0 111.186 -179.794 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . 0.624 HD21 ' NE2' ' A' ' 107' ' ' HIS . 55.9 t30 -107.5 -38.71 5.84 Favored 'General case' 0 CA--C 1.533 0.294 0 N-CA-C 112.68 0.622 . . . . 0.0 112.68 -178.389 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.474 ' O ' ' O ' ' A' ' 113' ' ' GLY . 87.8 mt -103.59 139.85 38.33 Favored 'General case' 0 N--CA 1.468 0.435 0 N-CA-C 112.083 0.401 . . . . 0.0 112.083 -178.635 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . 0.573 ' O ' ' C ' ' A' ' 114' ' ' GLU . . . 56.12 128.79 0.01 OUTLIER Glycine 0 CA--C 1.524 0.637 0 CA-C-N 115.419 -0.81 . . . . 0.0 111.558 179.019 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . 0.573 ' C ' ' O ' ' A' ' 113' ' ' GLY . 98.2 mt-10 7.92 93.99 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.737 0 O-C-N 124.111 0.536 . . . . 0.0 110.884 179.542 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -50.57 136.61 20.93 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.145 -0.48 . . . . 0.0 112.12 -176.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -92.61 155.78 17.53 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 115.659 -0.7 . . . . 0.0 109.456 178.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 65.6 p -85.44 167.37 15.56 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.848 -0.427 . . . . 0.0 109.848 179.164 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . 0.536 ' OD1' ' N ' ' A' ' 119' ' ' GLU . 40.4 p-10 -58.26 -40.41 81.73 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.582 -0.447 . . . . 0.0 110.546 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . 0.536 ' N ' ' OD1' ' A' ' 118' ' ' ASP . 98.5 mt-10 -61.64 -40.41 94.8 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.293 -179.807 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 26.7 mm-40 -70.6 -40.83 72.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.256 178.553 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 63.7 t -65.77 -44.41 93.1 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.21 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.908 179.58 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -59.3 -43.9 92.59 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 120.888 -0.325 . . . . 0.0 110.792 -179.226 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 53.9 tp10 -61.55 -39.11 89.93 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 179.443 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' MET . . . . . 0.597 ' SD ' ' CE1' ' B' ' 50' ' ' PHE . 35.0 mmm -65.74 -40.83 92.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.545 179.287 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 1.2 mp -63.61 -40.71 90.07 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.302 -179.361 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -63.31 -27.73 69.53 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.085 0.469 . . . . 0.0 109.955 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -97.12 -21.66 17.21 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.968 179.174 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . 0.526 ' O ' ' CB ' ' A' ' 129' ' ' ASP . . . -63.33 -44.61 94.42 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.583 -0.281 . . . . 0.0 111.749 -179.395 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . 0.526 ' CB ' ' O ' ' A' ' 128' ' ' ALA . 11.3 t70 142.6 -97.13 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.968 0 O-C-N 124.165 0.915 . . . . 0.0 110.809 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . 0.503 ' N ' ' CG ' ' A' ' 129' ' ' ASP . 65.9 mt 40.46 44.33 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 114.941 -1.027 . . . . 0.0 111.62 -178.889 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -60.57 -40.98 93.65 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 108.086 -1.079 . . . . 0.0 108.086 178.627 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 170.66 20.47 0.02 OUTLIER Glycine 0 CA--C 1.523 0.573 0 CA-C-N 114.682 -1.144 . . . . 0.0 110.242 179.603 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -108.29 -26.61 10.45 Favored 'General case' 0 CA--C 1.528 0.131 0 C-N-CA 121.087 -0.245 . . . . 0.0 111.559 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 85.46 9.64 78.67 Favored Glycine 0 CA--C 1.529 0.963 0 C-N-CA 120.864 -0.684 . . . . 0.0 111.939 179.645 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -124.56 155.64 38.7 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-O 120.946 0.403 . . . . 0.0 110.633 179.466 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 25.1 t -126.78 135.61 63.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.744 -179.341 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 7.3 p-10 -95.42 109.03 21.26 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.831 -0.622 . . . . 0.0 109.351 178.733 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 35.6 p90 -58.53 -11.72 3.26 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.507 -0.477 . . . . 0.0 111.453 -178.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -59.07 -50.0 75.74 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 119.992 -0.683 . . . . 0.0 109.766 -179.748 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 52.5 tp10 -59.45 -41.94 90.79 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 116.689 -0.232 . . . . 0.0 110.929 -179.201 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -60.33 -41.14 92.95 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.271 -0.572 . . . . 0.0 109.731 179.208 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 51.8 t -62.92 -42.67 97.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.495 178.767 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . 0.443 ' O ' ' N ' ' A' ' 147' ' ' ALA . 24.2 tt0 -59.89 -44.13 94.4 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 120.436 -0.506 . . . . 0.0 109.878 -179.618 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 73.6 mtm -60.11 -43.57 95.51 Favored 'General case' 0 C--N 1.332 -0.164 0 N-CA-C 108.359 -0.978 . . . . 0.0 108.359 178.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 1.1 mpp? -68.04 -18.76 64.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.472 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 67.7 p -121.57 19.14 11.22 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.666 -0.243 . . . . 0.0 111.146 -179.334 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . 0.443 ' N ' ' O ' ' A' ' 143' ' ' GLN . . . -125.34 49.49 1.89 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.537 -0.302 . . . . 0.0 110.84 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 8.1 tptp . . . . . 0 C--O 1.22 -0.455 0 CA-C-O 117.961 -1.019 . . . . 0.0 110.576 179.9 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 30' ' ' PHE . . . . . 0.585 ' N ' ' CD1' ' B' ' 30' ' ' PHE . 0.1 OUTLIER . . . . . 0 N--CA 1.49 1.555 0 N-CA-C 109.193 -0.669 . . . . 0.0 109.193 . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 31' ' ' ASP . . . . . 0.495 ' CG ' ' HZ3' ' A' ' 94' ' ' LYS . 31.0 t70 54.78 48.69 19.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.904 179.689 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 1.3 pt -127.61 164.51 28.61 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.174 0 CA-C-N 116.282 -0.417 . . . . 0.0 109.934 179.783 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -80.33 84.13 6.04 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 120.549 -0.46 . . . . 0.0 110.264 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 34' ' ' MET . . . . . . . . . . . . . 21.7 mmt -61.76 -39.67 92.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.154 179.715 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -62.1 -37.61 85.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.493 -0.776 . . . . 0.0 111.392 -179.583 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -59.3 119.59 40.49 Favored Pre-proline 0 CA--C 1.54 0.566 0 C-N-CA 120.788 -0.365 . . . . 0.0 110.743 -178.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_exo -52.99 -30.28 48.01 Favored 'Trans proline' 0 N--CA 1.499 1.814 0 C-N-CA 121.925 1.75 . . . . 0.0 112.517 178.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 53.1 tt0 -59.43 -43.12 93.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.768 -179.224 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 96.8 m -62.02 -45.71 92.38 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.569 -0.452 . . . . 0.0 110.298 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -63.56 -41.61 98.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.459 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 23.9 mmt85 -64.99 -39.49 93.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.469 179.794 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -61.35 -40.51 94.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.488 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -61.61 -41.0 96.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.294 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 60.5 t -63.31 -44.19 98.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.417 -179.72 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -60.39 -45.05 94.96 Favored 'General case' 0 C--N 1.331 -0.199 0 C-N-CA 120.865 -0.334 . . . . 0.0 111.211 -178.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 97.7 mt -64.07 -46.67 93.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-O 121.081 0.467 . . . . 0.0 110.133 179.575 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 47' ' ' GLN . . . . . 0.447 ' NE2' ' O ' ' A' ' 113' ' ' GLY . 95.9 mt-30 -63.99 -42.01 97.33 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.663 -0.699 . . . . 0.0 111.084 -179.591 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 48.1 t -61.6 -45.92 92.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.122 0.487 . . . . 0.0 109.697 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 72.1 mm-40 -65.39 -39.71 92.57 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.418 179.284 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 50' ' ' PHE . . . . . 0.597 ' CE1' ' SD ' ' A' ' 124' ' ' MET . 46.7 t80 -60.09 -47.77 84.51 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.718 179.757 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 13.8 tpp85 -59.89 -43.7 94.64 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.103 -179.765 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 1.2 mptp? -66.0 -36.41 83.21 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.869 0.366 . . . . 0.0 110.462 179.513 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 53' ' ' PHE . . . . . . . . . . . . . 93.8 t80 -59.32 -46.59 88.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.382 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 30.2 mm100 -61.62 -40.5 95.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.601 -179.584 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -62.74 -39.99 95.81 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.908 -0.317 . . . . 0.0 110.869 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 27.3 mtpp -62.66 -39.82 95.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.59 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -61.08 -44.39 97.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.233 179.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -80.85 -8.33 59.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.699 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . -65.55 149.86 51.67 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 111.083 -0.807 . . . . 0.0 111.083 -179.657 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 66.2 m -127.84 150.81 49.67 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.76 0.314 . . . . 0.0 110.54 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 25.5 pt20 -62.92 -21.56 66.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.65 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 13.7 p . . . . . 0 C--O 1.22 -0.481 0 CA-C-O 117.973 -1.013 . . . . 0.0 110.566 179.992 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 26.8 ttt . . . . . 0 N--CA 1.489 1.512 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 60.3 mtpt -89.46 -4.31 58.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.635 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -60.71 -62.21 2.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.474 . . . . 0.0 109.862 179.767 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.459 ' HG1' ' N ' ' A' ' 80' ' ' ASP . 27.1 p 44.51 -148.53 0.07 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.37 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.459 ' N ' ' HG1' ' A' ' 79' ' ' THR . 6.2 t0 77.09 126.93 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.452 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 69.9 m -80.93 -5.46 57.47 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.828 -0.623 . . . . 0.0 110.942 -179.786 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -59.4 -37.89 79.18 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.989 -0.745 . . . . 0.0 108.989 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 2.5 pp20? -62.97 -30.44 71.59 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.189 -0.914 . . . . 0.0 110.359 179.38 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 53.4 tp10 -70.68 -41.58 71.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.016 -179.739 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 38.9 mm -68.42 -46.55 80.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 N-CA-C 112.374 0.509 . . . . 0.0 112.374 -179.177 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 20.5 ptp180 -62.99 -27.47 69.43 Favored 'General case' 0 CA--C 1.521 -0.159 0 C-N-CA 120.482 -0.487 . . . . 0.0 110.585 -179.358 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -59.4 -40.73 87.54 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 179.51 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.18 -32.71 72.45 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.934 179.539 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 84.4 m-85 -81.38 -41.58 21.75 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 120.472 -0.491 . . . . 0.0 110.447 178.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -46.31 -28.46 1.31 Allowed 'General case' 0 N--CA 1.465 0.292 0 CA-C-O 120.853 0.359 . . . . 0.0 110.404 -179.72 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 55.2 t -61.21 -39.03 81.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.952 179.609 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 9.0 m-85 -89.94 -24.71 21.22 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.994 -179.232 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.447 ' OD1' ' O ' ' A' ' 99' ' ' TYR . 38.5 t70 -88.22 67.37 8.75 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.973 0.416 . . . . 0.0 110.121 178.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 65.3 pttt -73.51 -21.66 60.34 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.475 179.81 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -73.56 -25.85 60.57 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.518 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 69.18 24.8 75.85 Favored Glycine 0 CA--C 1.526 0.775 0 N-CA-C 111.139 -0.784 . . . . 0.0 111.139 179.804 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . 0.74 HD21 ' H ' ' A' ' 99' ' ' TYR . 0.3 OUTLIER -93.21 -6.81 46.88 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 121.018 -0.273 . . . . 0.0 110.833 -179.852 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . 0.521 ' O ' ' ND2' ' A' ' 137' ' ' ASN . . . 95.25 10.4 57.2 Favored Glycine 0 CA--C 1.53 0.986 0 N-CA-C 111.162 -0.775 . . . . 0.0 111.162 -179.715 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.74 ' H ' HD21 ' A' ' 97' ' ' ASN . 15.2 m-85 -135.13 155.7 50.27 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.361 0.6 . . . . 0.0 112.239 -179.251 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -129.75 143.47 41.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 N-CA-C 107.457 -1.312 . . . . 0.0 107.457 177.427 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 73.4 m -60.06 132.44 53.95 Favored 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 119.627 -0.829 . . . . 0.0 109.897 -179.326 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -62.32 -39.39 92.91 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 121.061 0.457 . . . . 0.0 110.332 179.812 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -58.31 -42.45 86.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.633 -179.441 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 -61.2 -41.32 96.63 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.93 178.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 2.6 tt -59.42 -48.71 80.62 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.696 -0.401 . . . . 0.0 110.988 -178.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 2.9 tmt_? -57.74 -50.06 74.49 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.289 -0.564 . . . . 0.0 110.501 -179.227 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . 0.516 ' O ' ' N ' ' A' ' 111' ' ' ASN . 86.2 t60 -60.96 -47.56 85.88 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.017 0.437 . . . . 0.0 110.827 -179.76 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 50.1 t -62.03 -37.62 78.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 115.597 -0.729 . . . . 0.0 111.202 179.809 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.5 -29.97 64.1 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.616 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 69.4 p -104.3 -16.52 15.14 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.559 -0.456 . . . . 0.0 112.229 -178.496 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . 0.516 ' N ' ' O ' ' A' ' 107' ' ' HIS . 19.1 t-20 -104.11 -45.6 4.67 Favored 'General case' 0 N--CA 1.467 0.376 0 N-CA-C 112.755 0.65 . . . . 0.0 112.755 -178.401 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.455 ' O ' ' O ' ' A' ' 113' ' ' GLY . 81.1 mt -100.82 141.49 33.63 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 120.919 0.39 . . . . 0.0 111.573 -178.471 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . 0.554 ' O ' ' C ' ' A' ' 114' ' ' GLU . . . 58.61 129.2 0.01 OUTLIER Glycine 0 CA--C 1.523 0.537 0 N-CA-C 110.867 -0.893 . . . . 0.0 110.867 179.391 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . 0.554 ' C ' ' O ' ' A' ' 113' ' ' GLY . 78.7 mm-40 8.82 87.38 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.629 0 O-C-N 124.195 0.585 . . . . 0.0 111.355 179.687 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 52.5 mtpt -45.04 129.5 7.52 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.597 -177.646 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -87.06 157.87 19.33 Favored 'General case' 0 N--CA 1.462 0.169 0 N-CA-C 108.486 -0.931 . . . . 0.0 108.486 178.249 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' THR . . . . . 0.445 ' OG1' ' OE1' ' A' ' 120' ' ' GLU . 73.2 p -94.27 171.95 8.51 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 120.454 -0.498 . . . . 0.0 110.199 179.36 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 68.0 t0 -58.89 -41.82 88.06 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.167 -179.257 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -61.87 -41.01 97.33 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.85 -0.34 . . . . 0.0 110.575 -179.616 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . 0.531 ' N ' ' OE1' ' A' ' 120' ' ' GLU . 1.0 OUTLIER -69.78 -41.42 75.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.977 0.418 . . . . 0.0 110.613 178.884 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 62.6 t -65.65 -42.72 93.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.884 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -59.02 -40.81 86.1 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.297 -0.561 . . . . 0.0 110.228 -178.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 54.1 tp10 -63.44 -38.77 92.42 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.141 -0.688 . . . . 0.0 109.141 178.562 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' MET . . . . . 0.604 ' SD ' ' CE1' ' B' ' 50' ' ' PHE . 46.5 mmm -67.54 -39.21 85.0 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.351 -0.841 . . . . 0.0 110.59 179.197 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 1.1 mp -62.05 -40.69 88.29 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.223 0 CA-C-N 116.042 -0.527 . . . . 0.0 111.225 -179.332 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 83.8 mtp180 -63.58 -26.1 68.54 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.022 0.439 . . . . 0.0 110.085 -179.724 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -97.01 -7.6 32.55 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.887 179.327 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . 0.474 ' O ' ' CB ' ' A' ' 129' ' ' ASP . . . -86.83 -79.24 0.27 Allowed 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.526 -178.885 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . 0.474 ' CB ' ' O ' ' A' ' 128' ' ' ALA . 1.5 m-20 159.47 -88.98 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.797 0 N-CA-C 111.679 0.251 . . . . 0.0 111.679 179.403 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 67.6 mt 78.74 -73.85 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.371 0 O-C-N 124.237 0.961 . . . . 0.0 109.899 -177.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 52.49 41.69 31.02 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.68 179.484 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 71.98 -48.43 1.09 Allowed Glycine 0 CA--C 1.526 0.747 0 N-CA-C 111.224 -0.75 . . . . 0.0 111.224 179.683 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -57.62 -38.71 75.41 Favored 'General case' 0 C--N 1.333 -0.133 0 C-N-CA 121.083 -0.247 . . . . 0.0 110.604 -178.634 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 89.62 39.05 6.37 Favored Glycine 0 CA--C 1.525 0.661 0 C-N-CA 120.468 -0.872 . . . . 0.0 112.38 178.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 6.3 mm100 -124.52 144.01 50.35 Favored 'General case' 0 N--CA 1.463 0.217 0 C-N-CA 120.392 -0.523 . . . . 0.0 110.365 178.581 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 38.3 t -130.19 134.88 61.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.626 -0.716 . . . . 0.0 112.161 -179.402 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . 0.521 ' ND2' ' O ' ' A' ' 98' ' ' GLY . 2.0 t-20 -92.96 110.92 22.39 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 108.353 -0.98 . . . . 0.0 108.353 178.2 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 47.0 p90 -65.47 -8.92 21.62 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 112.441 0.534 . . . . 0.0 112.441 -178.238 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 15.9 tm-20 -60.59 -50.43 73.57 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 119.889 -0.724 . . . . 0.0 111.3 -179.004 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . 0.422 ' OE2' ' O ' ' A' ' 128' ' ' ALA . 24.9 pt-20 -62.52 -35.03 78.1 Favored 'General case' 0 CA--C 1.52 -0.198 0 C-N-CA 120.469 -0.492 . . . . 0.0 110.81 -179.145 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . 0.542 ' O ' ' SD ' ' A' ' 145' ' ' MET . 1.1 m-85 -62.83 -43.92 97.51 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 178.727 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 51.9 t -62.06 -40.8 88.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 C-N-CA 120.288 -0.565 . . . . 0.0 109.652 178.508 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 71.6 tp60 -59.98 -42.14 93.52 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 178.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 66.9 mtp -61.45 -45.76 92.94 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-N 115.943 -0.572 . . . . 0.0 109.989 179.351 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 145' ' ' MET . . . . . 0.542 ' SD ' ' O ' ' A' ' 141' ' ' PHE . 0.0 OUTLIER -73.1 -19.84 61.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.681 -0.69 . . . . 0.0 111.599 -179.41 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 67.5 p -109.49 19.26 19.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.953 0.406 . . . . 0.0 110.281 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -166.3 -162.1 0.51 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.879 -0.6 . . . . 0.0 109.93 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . 0.515 ' OXT' ' NZ ' ' B' ' 56' ' ' LYS . 30.5 mmtt . . . . . 0 C--O 1.221 -0.415 0 CA-C-O 117.971 -1.014 . . . . 0.0 110.526 179.793 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 30' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.489 1.512 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 53.1 t0 58.0 42.51 22.6 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.178 0.513 . . . . 0.0 109.749 -179.344 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 72.1 mt -124.01 129.81 74.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.332 -0.849 . . . . 0.0 111.038 -179.629 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 33' ' ' ASP . . . . . 0.441 ' O ' ' OD1' ' B' ' 33' ' ' ASP . 46.1 p-10 -73.36 109.12 6.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.743 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 34' ' ' MET . . . . . . . . . . . . . 66.4 mtt -91.25 -1.3 57.71 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.637 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 55.3 p30 -83.38 1.48 41.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.1 -179.577 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -104.45 144.46 28.76 Favored Pre-proline 0 CA--C 1.533 0.314 0 C-N-CA 120.927 -0.309 . . . . 0.0 110.216 179.753 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -69.95 -27.93 24.94 Favored 'Trans proline' 0 N--CA 1.491 1.356 0 C-N-CA 122.333 2.022 . . . . 0.0 112.92 -179.826 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -63.11 -41.84 99.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.194 -179.32 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 94.2 m -63.91 -46.1 86.33 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.71 -0.396 . . . . 0.0 110.517 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -63.27 -42.83 99.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.425 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 43.5 mmm-85 -63.04 -40.01 96.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.4 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -61.61 -41.58 97.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.488 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -62.36 -41.54 98.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.443 179.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 56.3 t -62.83 -43.97 99.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.634 -179.551 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -60.39 -44.94 95.18 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.742 -0.383 . . . . 0.0 111.295 -178.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 97.1 mt -64.44 -47.21 90.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 120.944 0.402 . . . . 0.0 110.874 179.797 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 47' ' ' GLN . . . . . 0.538 ' NE2' ' O ' ' A' ' 113' ' ' GLY . 27.3 mt-30 -64.72 -40.8 95.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.96 -179.478 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 48.1 t -60.83 -46.27 91.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.148 -179.483 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 69.7 tp60 -66.37 -37.94 86.45 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 179.4 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 50' ' ' PHE . . . . . 0.604 ' CE1' ' SD ' ' A' ' 124' ' ' MET . 48.9 t80 -59.74 -42.88 94.16 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.8 179.708 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 44.5 ttm180 -57.29 -40.1 77.11 Favored 'General case' 0 C--N 1.324 -0.523 0 C-N-CA 120.489 -0.484 . . . . 0.0 110.015 -179.753 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 64.3 mmtt -62.02 -36.5 81.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.14 179.401 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 53' ' ' PHE . . . . . . . . . . . . . 51.8 t80 -57.65 -42.26 83.12 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.34 -179.656 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 90.6 mt-30 -61.27 -39.9 92.12 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.655 -179.659 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 63.1 mttp -61.88 -39.51 92.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.641 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . 0.515 ' NZ ' ' OXT' ' A' ' 148' ' ' LYS . 59.6 mtpt -61.83 -39.96 93.61 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.371 -179.844 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 13.1 mttm -69.66 -36.73 76.31 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.917 0.389 . . . . 0.0 110.378 179.085 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -78.06 -1.43 32.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.624 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . -76.76 -177.48 44.88 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.836 -0.905 . . . . 0.0 110.836 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 98.0 p -142.59 161.98 36.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.851 0.358 . . . . 0.0 110.718 -179.555 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -62.54 -39.96 95.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.669 -179.679 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 40.6 m . . . . . 0 C--O 1.221 -0.426 0 CA-C-O 117.985 -1.007 . . . . 0.0 110.522 -179.939 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 1.2 tpt . . . . . 0 N--CA 1.491 1.578 0 N-CA-C 109.187 -0.671 . . . . 0.0 109.187 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 38.9 ttpt -145.12 144.34 30.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.484 -179.828 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -54.72 158.49 2.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.057 0.456 . . . . 0.0 110.861 -179.416 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -179.23 52.09 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.004 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 24.5 m-20 -137.52 107.01 6.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.009 -179.502 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 66.5 m -81.97 -8.72 59.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.839 179.644 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 23.4 pt-20 -55.17 -32.82 62.46 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 120.23 -0.588 . . . . 0.0 109.576 -179.577 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -66.46 -34.22 77.45 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.325 -0.852 . . . . 0.0 110.266 179.459 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 53.4 tp10 -63.32 -45.61 90.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.251 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 4.7 mm -67.02 -41.04 86.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.602 179.725 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 79.3 mtp180 -60.54 -35.67 76.58 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.996 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 16.0 tm-20 -55.45 -41.18 72.54 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.19 -35.09 74.59 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.642 179.231 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 72.9 m-85 -77.78 -41.86 35.92 Favored 'General case' 0 C--N 1.333 -0.14 0 C-N-CA 120.739 -0.384 . . . . 0.0 110.314 178.337 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -49.08 -27.0 3.01 Favored 'General case' 0 N--CA 1.462 0.129 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.493 -178.748 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 54.5 t -61.17 -39.62 83.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 N-CA-C 109.913 -0.403 . . . . 0.0 109.913 178.596 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -87.11 -26.92 23.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.043 -179.656 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.421 ' OD1' ' O ' ' A' ' 99' ' ' TYR . 46.1 t0 -87.17 71.49 10.09 Favored 'General case' 0 N--CA 1.464 0.225 0 N-CA-C 109.938 -0.393 . . . . 0.0 109.938 179.387 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 23.4 pttp -70.63 -22.19 62.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.925 0.393 . . . . 0.0 111.46 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -76.1 -26.12 56.11 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.692 179.801 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 66.55 29.68 75.2 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.708 -0.957 . . . . 0.0 110.708 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -97.55 -1.17 44.52 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.669 0.271 . . . . 0.0 110.801 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 94.38 7.62 60.46 Favored Glycine 0 CA--C 1.529 0.925 0 N-CA-C 111.303 -0.719 . . . . 0.0 111.303 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.454 ' CD1' ' N ' ' A' ' 99' ' ' TYR . 15.3 m-85 -135.23 157.55 46.64 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-O 121.191 0.519 . . . . 0.0 111.646 -179.442 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -131.46 146.94 32.84 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.142 0 N-CA-C 107.949 -1.13 . . . . 0.0 107.949 178.015 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 67.5 m -59.35 133.59 56.24 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 119.622 -0.831 . . . . 0.0 109.643 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -64.47 -39.12 93.21 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.034 0.445 . . . . 0.0 111.146 -179.751 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -60.08 -42.06 93.78 Favored 'General case' 0 CA--C 1.534 0.328 0 N-CA-C 112.978 0.733 . . . . 0.0 112.978 -177.66 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.46 ' O ' ' CG2' ' A' ' 108' ' ' VAL . 1.0 OUTLIER -68.62 -27.7 66.26 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.38 -0.528 . . . . 0.0 111.047 -179.067 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 20.7 tp -62.46 -48.16 80.86 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . 0.43 ' C ' ' CD ' ' A' ' 106' ' ' ARG . 0.0 OUTLIER -57.9 -51.36 69.95 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.391 -179.367 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . 0.653 ' NE2' HD21 ' A' ' 111' ' ' ASN . 82.3 t60 -60.25 -45.33 93.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.234 0.54 . . . . 0.0 110.535 179.361 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.46 ' CG2' ' O ' ' A' ' 104' ' ' GLU . 58.0 t -61.86 -38.24 80.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 115.301 -0.863 . . . . 0.0 111.285 -179.844 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -76.85 -27.51 55.12 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.98 -179.597 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 81.2 p -104.47 -16.48 15.06 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 120.648 -0.421 . . . . 0.0 111.808 -178.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . 0.653 HD21 ' NE2' ' A' ' 107' ' ' HIS . 58.8 t30 -108.86 -38.83 5.5 Favored 'General case' 0 N--CA 1.464 0.272 0 N-CA-C 112.538 0.57 . . . . 0.0 112.538 -178.706 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.465 ' O ' ' O ' ' A' ' 113' ' ' GLY . 68.4 mt -106.01 140.35 39.14 Favored 'General case' 0 N--CA 1.466 0.343 0 C-N-CA 120.899 -0.321 . . . . 0.0 111.416 -178.55 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . 0.552 ' O ' ' C ' ' A' ' 114' ' ' GLU . . . 58.37 125.39 0.01 OUTLIER Glycine 0 CA--C 1.523 0.537 0 N-CA-C 110.866 -0.894 . . . . 0.0 110.866 179.288 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . 0.552 ' C ' ' O ' ' A' ' 113' ' ' GLY . 98.8 mt-10 11.84 87.33 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.664 0 O-C-N 124.177 0.575 . . . . 0.0 111.037 179.643 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -46.27 130.94 10.62 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 120.994 0.426 . . . . 0.0 111.928 -177.375 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -89.0 157.09 18.49 Favored 'General case' 0 N--CA 1.462 0.17 0 N-CA-C 108.661 -0.866 . . . . 0.0 108.661 178.332 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' THR . . . . . 0.438 ' OG1' ' OE1' ' A' ' 120' ' ' GLU . 72.8 p -92.93 171.58 8.87 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.68 -0.408 . . . . 0.0 110.227 179.486 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -59.3 -41.11 88.24 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.846 -0.342 . . . . 0.0 110.981 -179.003 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -62.01 -41.43 98.06 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.805 -0.358 . . . . 0.0 110.532 -179.688 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . 0.526 ' N ' ' OE1' ' A' ' 120' ' ' GLU . 0.8 OUTLIER -69.35 -40.71 77.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.96 0.41 . . . . 0.0 110.117 178.56 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 62.3 t -63.77 -45.16 98.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.94 179.739 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -58.3 -40.67 82.62 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.344 -0.542 . . . . 0.0 110.437 -178.658 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 15.4 tm-20 -64.03 -38.57 91.55 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 178.43 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' MET . . . . . 0.592 ' SD ' ' CE1' ' B' ' 50' ' ' PHE . 48.7 mmm -67.66 -39.98 84.52 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.306 -0.861 . . . . 0.0 110.774 179.536 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 1.2 mp -63.01 -39.53 85.55 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.118 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.785 -179.365 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 13.6 tpp85 -62.89 -28.86 70.34 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.408 179.753 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -96.02 -10.3 28.87 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.987 -0.552 . . . . 0.0 111.227 179.788 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . 0.471 ' O ' ' CB ' ' A' ' 129' ' ' ASP . . . -79.46 -68.01 0.7 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.562 -178.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . 0.471 ' CB ' ' O ' ' A' ' 128' ' ' ALA . 9.5 m-20 156.83 -94.63 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.78 0 CA-C-O 120.961 0.41 . . . . 0.0 111.341 179.467 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . 0.479 ' CG2' ' O ' ' A' ' 130' ' ' ILE . 95.9 mt 60.28 55.62 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.768 -178.289 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 65.0 t0 -83.31 69.4 9.96 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 108.638 -0.875 . . . . 0.0 108.638 178.597 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 45.47 28.39 2.3 Favored Glycine 0 CA--C 1.526 0.725 0 N-CA-C 110.091 -1.204 . . . . 0.0 110.091 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -129.06 -21.87 3.24 Favored 'General case' 0 N--CA 1.462 0.153 0 CA-C-O 120.635 0.255 . . . . 0.0 111.368 -179.38 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 74.51 27.43 65.5 Favored Glycine 0 CA--C 1.532 1.108 0 C-N-CA 121.104 -0.57 . . . . 0.0 112.608 179.255 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 12.6 pt20 -124.64 149.52 47.02 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-N 117.26 0.53 . . . . 0.0 110.789 179.246 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 25.3 t -132.53 135.34 57.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.671 -0.695 . . . . 0.0 112.166 -179.244 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . 0.443 ' OD1' ' O ' ' A' ' 137' ' ' ASN . 7.5 p30 -92.96 110.75 22.22 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.703 -0.68 . . . . 0.0 109.555 178.468 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 41.9 p90 -62.92 -12.08 22.84 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.617 -0.433 . . . . 0.0 111.681 -178.754 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -58.71 -49.63 76.88 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.154 -0.619 . . . . 0.0 110.269 -179.377 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -61.32 -39.93 92.35 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 120.929 -0.308 . . . . 0.0 111.155 -179.348 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -61.81 -42.53 99.13 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.446 -0.501 . . . . 0.0 109.994 179.095 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 54.7 t -64.65 -40.78 90.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 C-N-CA 120.616 -0.434 . . . . 0.0 110.18 178.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 11.0 tp-100 -59.93 -41.49 91.9 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 108.95 -0.759 . . . . 0.0 108.95 179.13 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 69.7 mtp -59.51 -43.15 93.45 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 108.658 -0.867 . . . . 0.0 108.658 179.325 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 68.4 mtt -70.89 -19.31 62.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.491 -0.777 . . . . 0.0 111.797 -179.715 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 77.6 p -118.52 18.44 13.54 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-O 120.507 0.194 . . . . 0.0 110.817 -179.666 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -129.88 41.76 3.38 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.464 -0.334 . . . . 0.0 110.667 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 7.1 tptm . . . . . 0 C--O 1.22 -0.452 0 CA-C-O 118.028 -0.987 . . . . 0.0 110.449 179.863 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 30' ' ' PHE . . . . . 0.512 ' CD1' ' N ' ' B' ' 30' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.505 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -100.55 64.57 1.14 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.848 -179.749 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 2.5 pt -130.69 165.34 31.28 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-N 116.475 -0.329 . . . . 0.0 110.311 179.799 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 66.5 m-20 -83.73 80.45 9.13 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.625 -0.43 . . . . 0.0 110.128 179.558 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 34' ' ' MET . . . . . 0.442 ' O ' ' OE2' ' B' ' 40' ' ' GLU . 54.9 mtt -63.2 -35.94 81.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.923 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -60.29 -37.51 80.74 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.664 -179.239 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.92 121.27 60.76 Favored Pre-proline 0 CA--C 1.543 0.687 0 C-N-CA 120.66 -0.416 . . . . 0.0 110.168 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 76.5 Cg_exo -51.64 -35.19 56.27 Favored 'Trans proline' 0 N--CA 1.501 1.962 0 C-N-CA 122.012 1.808 . . . . 0.0 112.962 179.29 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 24.4 pt-20 -55.3 -34.8 64.46 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.317 -178.753 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 97.0 m -61.75 -48.43 80.71 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.738 -0.385 . . . . 0.0 110.747 -179.618 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . 0.442 ' OE2' ' O ' ' B' ' 34' ' ' MET . 25.7 mp0 -64.54 -40.36 95.45 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.236 0.541 . . . . 0.0 109.991 179.172 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 29.7 tpt180 -61.04 -45.45 94.72 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.393 -0.821 . . . . 0.0 110.182 179.592 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -61.46 -39.87 92.45 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.177 179.675 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -61.43 -40.8 95.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.2 179.739 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 58.1 t -62.4 -45.28 99.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.727 -179.564 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 45' ' ' ALA . . . . . 0.453 ' O ' ' OE1' ' B' ' 49' ' ' GLN . . . -60.74 -44.41 96.72 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.783 -0.367 . . . . 0.0 111.021 -179.108 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 46' ' ' ILE . . . . . 0.407 HD11 HG23 ' B' ' 46' ' ' ILE . 90.6 mt -62.69 -46.13 97.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-O 120.88 0.371 . . . . 0.0 110.629 179.709 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 47' ' ' GLN . . . . . 0.545 ' NE2' ' O ' ' A' ' 114' ' ' GLU . 27.8 mt-30 -65.26 -40.23 93.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.947 179.783 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 48.3 t -60.52 -47.38 86.42 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.551 -179.385 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . 0.453 ' OE1' ' O ' ' B' ' 45' ' ' ALA . 7.1 mp0 -65.91 -36.43 83.38 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.161 178.832 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 50' ' ' PHE . . . . . 0.626 ' CE2' ' NE2' ' B' ' 54' ' ' GLN . 34.1 t80 -59.82 -46.77 88.21 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.978 179.76 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 5.3 mtp180 -60.69 -38.09 83.82 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 120.74 -0.384 . . . . 0.0 110.245 -179.64 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -60.98 -38.05 84.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.896 0.379 . . . . 0.0 110.31 179.512 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 53' ' ' PHE . . . . . . . . . . . . . 68.0 t80 -58.81 -45.43 89.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.148 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 54' ' ' GLN . . . . . 0.626 ' NE2' ' CE2' ' B' ' 50' ' ' PHE . 76.4 mt-30 -61.78 -39.92 93.39 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.949 -179.66 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 59.5 mtpt -61.58 -39.2 90.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.86 -179.59 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 5.1 mptp? -57.76 -51.11 70.92 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.525 -0.47 . . . . 0.0 110.04 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 57' ' ' LYS . . . . . 0.535 ' O ' ' N ' ' B' ' 60' ' ' SER . 25.6 mmtp -65.18 -40.41 94.21 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.927 0.394 . . . . 0.0 110.163 179.27 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . 40.95 48.43 2.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.678 179.811 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 59' ' ' GLY . . . . . 0.476 ' O ' ' CB ' ' B' ' 60' ' ' SER . . . 78.29 16.28 79.79 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 111.073 -0.811 . . . . 0.0 111.073 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 60' ' ' SER . . . . . 0.535 ' N ' ' O ' ' B' ' 57' ' ' LYS . 0.7 OUTLIER 80.43 -160.06 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.786 0.326 . . . . 0.0 110.565 -179.867 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 16.5 pt20 -65.03 150.39 48.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.667 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 58.3 m . . . . . 0 C--O 1.221 -0.442 0 CA-C-O 118.014 -0.993 . . . . 0.0 110.57 -179.984 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 16.1 mmt . . . . . 0 N--CA 1.489 1.512 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 64.0 mttp 54.54 -157.37 0.21 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.384 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 47.0 t0 -90.39 56.87 3.49 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.798 -0.361 . . . . 0.0 110.527 179.777 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 11.1 p 46.2 -155.19 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.256 -179.66 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 39.0 t0 -113.84 165.94 12.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.514 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 68.3 m -79.8 -6.76 57.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.311 179.755 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.515 ' OE2' ' NH2' ' A' ' 86' ' ' ARG . 88.6 tt0 -57.01 -39.66 75.14 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 179.802 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 3.0 pp20? -62.1 -34.84 77.07 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.389 -0.823 . . . . 0.0 110.501 179.325 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -63.92 -43.42 95.97 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.539 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 4.9 mm -65.22 -41.3 91.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.037 179.769 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.515 ' NH2' ' OE2' ' A' ' 82' ' ' GLU . 99.6 mtt180 -60.44 -36.32 77.93 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.865 -179.838 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 53.8 tp10 -55.82 -39.72 71.77 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.26 -0.645 . . . . 0.0 109.26 -179.646 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.9 -36.44 79.28 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.041 179.504 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 77.9 m-85 -77.88 -42.06 34.62 Favored 'General case' 0 C--N 1.332 -0.193 0 C-N-CA 120.755 -0.378 . . . . 0.0 110.57 178.807 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? -45.63 -30.87 1.65 Allowed 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.33 -179.481 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 53.2 t -61.46 -39.46 82.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.51 179.491 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -85.18 -25.23 27.53 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.609 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 67.8 t0 -90.79 84.83 5.88 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 178.638 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 25.8 tttp -87.52 -22.72 24.7 Favored 'General case' 0 N--CA 1.448 -0.552 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.754 -179.407 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -74.08 -26.54 60.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.992 0.425 . . . . 0.0 109.893 178.784 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 70.56 26.56 73.91 Favored Glycine 0 CA--C 1.526 0.725 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -93.8 -2.9 52.96 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.99 -0.284 . . . . 0.0 111.189 -179.83 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . 0.414 ' C ' ' CD1' ' A' ' 99' ' ' TYR . . . 93.53 9.79 59.82 Favored Glycine 0 CA--C 1.531 1.032 0 N-CA-C 111.355 -0.698 . . . . 0.0 111.355 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.446 ' CD1' ' N ' ' A' ' 99' ' ' TYR . 21.2 m-85 -136.55 158.68 43.86 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-O 121.217 0.532 . . . . 0.0 112.209 -179.647 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.4 pt -130.43 144.25 38.53 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.149 0 N-CA-C 108.435 -0.95 . . . . 0.0 108.435 178.161 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 71.7 m -70.33 104.1 2.59 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 119.821 -0.751 . . . . 0.0 109.04 179.071 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -48.82 -21.22 0.59 Allowed 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 112.501 0.556 . . . . 0.0 112.501 -177.387 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -61.34 -41.03 96.38 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 119.741 -0.783 . . . . 0.0 109.041 178.673 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.405 ' O ' ' CG2' ' A' ' 108' ' ' VAL . 4.7 pt-20 -73.15 -29.35 62.81 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.176 179.782 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 46.6 tp -61.18 -48.92 79.31 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 -179.765 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 8.3 tmm_? -57.71 -49.42 76.61 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.466 -179.262 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . 0.527 ' O ' ' N ' ' A' ' 111' ' ' ASN . 86.1 t60 -60.7 -44.22 96.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.35 0.595 . . . . 0.0 109.964 179.552 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.405 ' CG2' ' O ' ' A' ' 104' ' ' GLU . 58.6 t -62.08 -39.32 83.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 115.143 -0.935 . . . . 0.0 111.123 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -76.77 -22.41 53.79 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.3 -179.599 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 71.8 p -106.05 -17.79 14.23 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.734 -0.386 . . . . 0.0 111.766 -178.514 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . 0.527 ' N ' ' O ' ' A' ' 107' ' ' HIS . 57.0 t30 -109.96 -34.96 6.27 Favored 'General case' 0 N--CA 1.466 0.335 0 N-CA-C 112.624 0.602 . . . . 0.0 112.624 -178.486 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.466 ' O ' ' O ' ' A' ' 113' ' ' GLY . 86.6 mt -107.52 140.23 40.83 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-O 120.87 0.367 . . . . 0.0 111.729 -178.752 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . 0.569 ' O ' ' C ' ' A' ' 114' ' ' GLU . . . 55.94 124.3 0.01 OUTLIER Glycine 0 CA--C 1.524 0.612 0 CA-C-N 115.552 -0.749 . . . . 0.0 111.364 179.195 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . 0.569 ' C ' ' O ' ' A' ' 113' ' ' GLY . 98.8 mt-10 13.66 88.14 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.68 0 O-C-N 123.776 0.339 . . . . 0.0 110.957 179.483 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 62.6 mttp -47.45 134.48 11.86 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.621 -177.355 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -90.32 157.87 17.43 Favored 'General case' 0 N--CA 1.463 0.178 0 N-CA-C 108.895 -0.779 . . . . 0.0 108.895 178.786 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 69.5 p -90.66 168.42 11.79 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.781 -0.368 . . . . 0.0 110.062 179.321 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -59.45 -40.7 87.71 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.799 -0.36 . . . . 0.0 110.598 -179.466 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 53.3 tp10 -62.36 -42.33 99.31 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.095 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -69.51 -39.78 77.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.119 178.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 66.6 t -64.93 -43.47 96.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.857 179.356 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -59.91 -40.94 90.52 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 120.369 -0.532 . . . . 0.0 109.838 -179.091 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . 0.44 ' OE2' ' NE2' ' B' ' 54' ' ' GLN . 88.6 tt0 -63.83 -40.07 95.72 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 178.37 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' MET . . . . . 0.597 ' SD ' ' CD1' ' B' ' 50' ' ' PHE . 47.3 mmm -63.38 -41.42 98.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.401 -0.818 . . . . 0.0 110.357 179.448 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -67.02 -34.25 68.64 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.132 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.612 -179.729 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 1.2 mmp_? -63.19 -32.06 73.36 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.611 -179.741 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -95.56 -10.12 30.47 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.801 179.493 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -78.66 -74.35 0.28 Allowed 'General case' 0 CA--C 1.533 0.294 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.286 -179.397 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . 0.513 ' CG ' ' N ' ' A' ' 130' ' ' ILE . 28.0 t70 168.26 -107.97 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.891 0 O-C-N 123.675 0.609 . . . . 0.0 110.839 179.118 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . 0.513 ' N ' ' CG ' ' A' ' 129' ' ' ASP . 77.9 mt 61.29 50.15 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 115.138 -0.937 . . . . 0.0 112.163 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -62.48 -41.91 99.12 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 178.6 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -161.99 -54.15 0.02 OUTLIER Glycine 0 CA--C 1.526 0.754 0 CA-C-N 115.679 -0.691 . . . . 0.0 111.576 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -60.56 -37.97 83.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.896 0.379 . . . . 0.0 110.756 -179.423 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 105.87 -23.43 29.4 Favored Glycine 0 CA--C 1.525 0.672 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.701 179.59 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 17.0 pt20 -58.49 148.3 28.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 117.572 0.686 . . . . 0.0 111.119 -179.545 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 1.8 t -128.26 134.58 64.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.153 -179.546 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . 0.438 ' OD1' ' O ' ' A' ' 137' ' ' ASN . 37.0 p-10 -93.17 114.69 27.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.861 179.244 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 46.6 p90 -65.07 -9.24 20.77 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 112.196 0.443 . . . . 0.0 112.196 -178.732 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 52.9 tp10 -59.53 -49.86 76.13 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 120.198 -0.601 . . . . 0.0 110.463 -179.182 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -60.34 -38.37 83.58 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 120.627 0.251 . . . . 0.0 111.049 -179.081 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . 0.434 ' CE1' ' CE ' ' A' ' 144' ' ' MET . 2.1 m-85 -61.3 -43.5 98.76 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 120.514 -0.474 . . . . 0.0 109.869 178.712 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . 0.429 ' O ' ' OG1' ' A' ' 146' ' ' THR . 53.7 t -64.72 -45.39 95.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.637 178.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . 0.485 ' O ' ' N ' ' A' ' 147' ' ' ALA . 52.3 mt-30 -63.08 -41.69 99.47 Favored 'General case' 0 CA--C 1.521 -0.157 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 179.019 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 144' ' ' MET . . . . . 0.434 ' CE ' ' CE1' ' A' ' 141' ' ' PHE . 2.6 ttp -60.73 -46.54 90.04 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.328 -0.851 . . . . 0.0 109.11 178.358 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 8.8 mtm -74.5 -18.84 60.55 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.783 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 146' ' ' THR . . . . . 0.429 ' OG1' ' O ' ' A' ' 142' ' ' VAL . 75.8 p -114.36 16.38 17.85 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.023 0.439 . . . . 0.0 110.401 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . 0.485 ' N ' ' O ' ' A' ' 143' ' ' GLN . . . -155.82 -172.14 4.02 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.626 179.712 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.22 -0.486 0 CA-C-O 117.985 -1.007 . . . . 0.0 110.338 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 30' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.49 1.556 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 58.0 p30 -92.89 10.43 31.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.706 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 1.9 pt -82.7 156.01 3.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.552 -179.321 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 33' ' ' ASP . . . . . 0.443 ' O ' ' OG1' ' B' ' 39' ' ' THR . 65.7 m-20 -85.71 80.54 8.94 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.403 -0.591 . . . . 0.0 109.403 179.214 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 34' ' ' MET . . . . . . . . . . . . . 78.2 mtp -63.86 -36.03 82.6 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.206 -178.789 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -60.79 -38.0 83.81 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.109 -178.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.4 120.93 56.25 Favored Pre-proline 0 CA--C 1.54 0.591 0 C-N-CA 120.594 -0.442 . . . . 0.0 110.494 -179.674 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_exo -51.92 -33.57 52.35 Favored 'Trans proline' 0 N--CA 1.5 1.872 0 C-N-CA 122.023 1.816 . . . . 0.0 112.45 178.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -60.77 -38.41 85.18 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.964 -179.322 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 39' ' ' THR . . . . . 0.443 ' OG1' ' O ' ' B' ' 33' ' ' ASP . 98.3 m -60.22 -45.86 91.76 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 120.885 -0.326 . . . . 0.0 110.621 -179.768 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 15.9 tm-20 -62.49 -42.2 99.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.367 -0.378 . . . . 0.0 110.443 179.801 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 31.9 mmt180 -63.07 -38.61 91.89 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.541 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -60.32 -39.1 85.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.38 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -60.65 -40.02 90.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.21 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 59.6 t -61.97 -44.1 98.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.443 -179.56 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -60.38 -45.68 92.68 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.739 -0.384 . . . . 0.0 111.253 -179.155 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 91.5 mt -65.31 -45.09 94.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-O 120.963 0.411 . . . . 0.0 111.054 179.749 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 47' ' ' GLN . . . . . 0.524 ' NE2' ' O ' ' A' ' 113' ' ' GLY . 93.6 mt-30 -63.06 -41.06 99.38 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.36 -179.604 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 74.7 m -61.96 -41.95 98.56 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 120.649 -0.42 . . . . 0.0 110.014 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 73.0 mm-40 -65.98 -39.4 90.33 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.684 179.615 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 50' ' ' PHE . . . . . 0.597 ' CD1' ' SD ' ' A' ' 124' ' ' MET . 39.3 t80 -59.88 -48.24 82.51 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 120.681 -0.408 . . . . 0.0 110.389 179.761 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 43.8 ttm180 -61.36 -41.36 96.95 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.048 0.451 . . . . 0.0 109.795 179.188 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 27.5 tptp -60.94 -38.41 85.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.395 179.786 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 53' ' ' PHE . . . . . . . . . . . . . 51.3 t80 -56.5 -45.74 80.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.551 -179.26 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 54' ' ' GLN . . . . . 0.44 ' NE2' ' OE2' ' A' ' 123' ' ' GLU . 99.4 mm-40 -61.63 -40.12 93.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.517 -179.545 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -62.47 -39.31 93.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.764 0.316 . . . . 0.0 110.665 179.789 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 20.8 ttmm -60.51 -43.67 96.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.31 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 64.9 tttp -60.78 -43.63 97.84 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.437 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.95 -40.37 93.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.537 -179.786 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 80.39 -171.68 54.25 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 111.24 -0.744 . . . . 0.0 111.24 179.821 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 70.2 m -105.05 22.58 15.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.642 0.258 . . . . 0.0 110.643 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 20.1 pt20 -134.89 156.49 48.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.796 -179.456 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 68.2 p . . . . . 0 C--O 1.22 -0.489 0 CA-C-O 118.054 -0.974 . . . . 0.0 110.584 -179.911 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 60.4 ttm . . . . . 0 N--CA 1.489 1.517 0 N-CA-C 109.238 -0.652 . . . . 0.0 109.238 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 64.1 mttp -71.87 150.09 44.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.486 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 67.8 m-20 57.4 40.92 27.05 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.395 -179.441 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.467 ' O ' ' C ' ' A' ' 80' ' ' ASP . 3.5 t -71.98 57.27 0.32 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.222 179.874 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.467 ' C ' ' O ' ' A' ' 79' ' ' THR . 98.9 m-20 -22.52 105.22 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.412 0 O-C-N 123.966 0.791 . . . . 0.0 111.981 -178.785 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 71.0 m -83.22 -4.98 58.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.445 -0.798 . . . . 0.0 111.055 179.799 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -57.54 -39.55 76.88 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.405 -0.518 . . . . 0.0 109.721 -179.209 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -64.52 -39.56 93.99 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.73 179.086 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -62.88 -44.95 94.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.191 -179.616 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 4.8 mm -67.45 -43.12 87.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.81 0.338 . . . . 0.0 110.544 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -60.46 -36.29 77.9 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.968 -179.804 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -55.06 -41.23 71.23 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.025 -0.731 . . . . 0.0 109.025 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -59.45 -35.86 74.86 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.752 179.588 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 82.7 m-85 -80.06 -41.24 26.03 Favored 'General case' 0 C--N 1.332 -0.161 0 C-N-CA 120.662 -0.415 . . . . 0.0 110.338 178.653 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -49.85 -26.97 4.51 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.441 -178.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 53.9 t -61.81 -40.25 86.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 N-CA-C 110.075 -0.343 . . . . 0.0 110.075 178.525 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -83.9 -24.92 30.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.706 -179.709 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 65.9 t0 -91.71 84.64 5.47 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 178.569 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 5.2 ttmt -86.38 -18.33 32.11 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.645 -179.185 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 70.8 m-20 -81.84 -25.94 34.7 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.72 -0.392 . . . . 0.0 110.075 179.051 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 70.69 29.76 69.2 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.842 -0.903 . . . . 0.0 110.842 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 17.2 t-20 -92.71 -5.97 50.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.617 0.246 . . . . 0.0 110.88 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . 0.417 ' C ' ' CD1' ' A' ' 99' ' ' TYR . . . 94.28 9.42 59.23 Favored Glycine 0 CA--C 1.529 0.928 0 N-CA-C 111.325 -0.71 . . . . 0.0 111.325 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.424 ' CD1' ' N ' ' A' ' 99' ' ' TYR . 32.9 m-85 -137.53 158.3 44.69 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.133 0.492 . . . . 0.0 111.919 -179.653 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 3.3 pt -130.04 145.6 35.39 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.159 0 N-CA-C 107.485 -1.302 . . . . 0.0 107.485 178.033 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 66.8 m -63.93 136.48 57.39 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 119.809 -0.756 . . . . 0.0 110.693 -179.566 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -64.27 -38.47 91.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.949 -179.823 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -59.64 -40.63 88.3 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.951 -177.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -70.22 -27.88 64.83 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 120.45 -0.5 . . . . 0.0 110.49 -179.259 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 24.2 tp -61.28 -50.41 73.13 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . 0.44 ' CZ ' ' CG1' ' A' ' 121' ' ' VAL . 8.2 tpp180 -55.33 -51.37 66.96 Favored 'General case' 0 N--CA 1.462 0.152 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.181 -179.883 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . 0.582 ' CE1' ' ND2' ' A' ' 111' ' ' ASN . 82.3 t60 -61.87 -47.06 86.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.096 0.474 . . . . 0.0 111.611 179.751 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 53.1 t -62.2 -39.86 85.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 115.629 -0.714 . . . . 0.0 112.096 -178.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -75.1 -25.19 58.32 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.659 -179.522 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 72.9 p -106.01 -16.94 14.49 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 120.679 -0.408 . . . . 0.0 111.851 -178.647 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . 0.582 ' ND2' ' CE1' ' A' ' 107' ' ' HIS . 59.4 t30 -106.6 -37.19 6.52 Favored 'General case' 0 CA--C 1.533 0.312 0 N-CA-C 112.38 0.511 . . . . 0.0 112.38 -178.765 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.452 ' O ' ' O ' ' A' ' 113' ' ' GLY . 83.9 mt -108.69 140.57 41.91 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-O 120.961 0.41 . . . . 0.0 111.673 -178.698 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . 0.547 ' O ' ' C ' ' A' ' 114' ' ' GLU . . . 57.04 124.23 0.01 OUTLIER Glycine 0 CA--C 1.524 0.605 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.475 179.162 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . 0.547 ' C ' ' O ' ' A' ' 113' ' ' GLY . 43.8 mp0 14.19 88.52 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.658 0 O-C-N 124.054 0.502 . . . . 0.0 110.917 179.481 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 62.6 mttp -47.16 131.46 12.79 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 120.974 0.416 . . . . 0.0 111.556 -177.244 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -89.69 156.88 18.26 Favored 'General case' 0 N--CA 1.462 0.142 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 178.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 64.3 p -88.01 166.97 14.09 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 109.883 -0.414 . . . . 0.0 109.883 179.085 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -59.88 -39.78 86.42 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 120.726 -0.39 . . . . 0.0 110.691 -179.52 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -63.03 -41.06 99.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.903 0.382 . . . . 0.0 110.016 179.753 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 52.3 mt-10 -69.73 -40.01 76.47 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.264 179.07 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . 0.44 ' CG1' ' CZ ' ' A' ' 106' ' ' ARG . 56.1 t -63.18 -41.93 94.61 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 116.052 -0.522 . . . . 0.0 109.792 178.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 68.1 t0 -59.65 -42.59 93.14 Favored 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 120.548 -0.461 . . . . 0.0 110.305 -179.299 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 -61.94 -40.17 94.6 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.452 0.644 . . . . 0.0 109.46 179.163 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' MET . . . . . 0.596 ' SD ' ' CD1' ' B' ' 50' ' ' PHE . 46.3 mmm -64.66 -41.06 96.36 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.041 -0.981 . . . . 0.0 109.889 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -65.5 -37.24 79.55 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.167 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.541 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 17.6 tpp180 -60.14 -34.18 73.18 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.282 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . 0.448 ' CD ' ' SD ' ' A' ' 144' ' ' MET . 64.9 mt-10 -96.34 -2.85 44.93 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.911 179.699 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -86.22 -78.1 0.29 Allowed 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 111.946 0.35 . . . . 0.0 111.946 -179.076 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . 0.505 ' CG ' ' N ' ' A' ' 130' ' ' ILE . 63.9 t0 176.05 -113.6 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.472 0 O-C-N 123.644 0.59 . . . . 0.0 111.062 -179.645 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . 0.629 ' C ' ' H ' ' A' ' 132' ' ' GLY . 67.6 mt 64.89 -121.01 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.455 -0.182 0 CA-C-N 115.048 -0.978 . . . . 0.0 111.257 -179.432 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . 0.553 ' H ' ' CG2' ' A' ' 130' ' ' ILE . 47.0 m-20 66.97 -31.8 0.17 Allowed 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.168 -178.288 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . 0.629 ' H ' ' C ' ' A' ' 130' ' ' ILE . . . 169.42 -0.44 0.04 OUTLIER Glycine 0 CA--C 1.526 0.734 0 N-CA-C 110.83 -0.908 . . . . 0.0 110.83 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -84.54 -41.55 16.37 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.856 0.36 . . . . 0.0 110.97 179.809 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 85.3 -6.82 78.41 Favored Glycine 0 CA--C 1.526 0.746 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 34.1 mm-40 -117.3 166.74 11.93 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-O 120.642 0.258 . . . . 0.0 110.381 -179.8 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 25.6 t -134.95 132.01 53.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.35 179.808 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . 0.444 ' OD1' ' O ' ' A' ' 137' ' ' ASN . 36.0 p-10 -95.89 110.62 22.78 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.742 -0.383 . . . . 0.0 110.106 179.191 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 36.4 p90 -61.83 -10.12 8.36 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 112.065 0.395 . . . . 0.0 112.065 -178.748 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -59.43 -49.24 78.55 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 119.986 -0.686 . . . . 0.0 110.61 -179.043 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -60.48 -41.33 93.99 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.673 0.273 . . . . 0.0 110.983 -179.324 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -60.79 -45.43 94.43 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 120.58 -0.448 . . . . 0.0 110.149 179.512 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . 0.466 ' O ' ' OG1' ' A' ' 146' ' ' THR . 52.9 t -64.59 -40.85 90.48 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.691 179.341 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 11.2 tp-100 -58.1 -43.63 87.24 Favored 'General case' 0 N--CA 1.455 -0.189 0 C-N-CA 120.233 -0.587 . . . . 0.0 109.447 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 144' ' ' MET . . . . . 0.448 ' SD ' ' CD ' ' A' ' 127' ' ' GLU . 73.4 mtm -59.8 -40.15 87.38 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 179.535 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 67.7 mtt -72.7 -18.25 61.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.868 -0.606 . . . . 0.0 111.974 -179.678 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 146' ' ' THR . . . . . 0.466 ' OG1' ' O ' ' A' ' 142' ' ' VAL . 0.0 OUTLIER -97.35 23.9 7.07 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.873 0.368 . . . . 0.0 110.564 179.734 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -133.0 -107.28 0.24 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.299 179.599 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 41.5 mmtm . . . . . 0 C--O 1.22 -0.489 0 CA-C-O 117.999 -1.001 . . . . 0.0 110.497 179.885 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 30' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 . . . . . 0 N--CA 1.49 1.537 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 53.6 t0 55.01 47.64 21.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.151 179.701 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 1.5 pt -130.47 163.6 35.72 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.163 0 N-CA-C 109.994 -0.373 . . . . 0.0 109.994 179.746 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 33' ' ' ASP . . . . . 0.437 ' O ' ' OG1' ' B' ' 39' ' ' THR . 66.5 m-20 -90.53 79.47 6.17 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 120.784 -0.366 . . . . 0.0 110.217 179.49 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 34' ' ' MET . . . . . . . . . . . . . 57.7 mtt -62.03 -38.25 87.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.514 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -60.94 -38.68 86.68 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.772 -179.627 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -59.93 123.19 70.87 Favored Pre-proline 0 CA--C 1.54 0.589 0 C-N-CA 120.655 -0.418 . . . . 0.0 110.375 -179.613 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_exo -51.86 -30.74 39.82 Favored 'Trans proline' 0 N--CA 1.5 1.883 0 C-N-CA 121.84 1.693 . . . . 0.0 112.709 179.138 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -60.7 -40.09 90.94 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.154 -178.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 39' ' ' THR . . . . . 0.437 ' OG1' ' O ' ' B' ' 33' ' ' ASP . 98.1 m -61.93 -46.34 89.75 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.443 -0.503 . . . . 0.0 110.525 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -63.54 -41.72 98.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.254 179.767 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 34.6 mmt180 -65.42 -38.73 90.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.315 179.666 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -60.76 -40.68 93.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.25 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -61.73 -39.93 93.28 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.177 179.701 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 66.4 t -61.74 -45.61 98.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.6 -179.35 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 45' ' ' ALA . . . . . 0.548 ' O ' ' NE2' ' B' ' 49' ' ' GLN . . . -61.03 -46.6 90.06 Favored 'General case' 0 C--N 1.332 -0.193 0 C-N-CA 120.776 -0.37 . . . . 0.0 111.367 -178.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 90.4 mt -64.18 -46.19 94.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 121.012 0.434 . . . . 0.0 110.543 179.685 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 47' ' ' GLN . . . . . 0.523 ' NE2' ' O ' ' A' ' 113' ' ' GLY . 94.4 mt-30 -64.76 -41.14 96.12 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.055 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 75.8 m -62.47 -42.43 99.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.981 0.42 . . . . 0.0 110.356 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . 0.548 ' NE2' ' O ' ' B' ' 45' ' ' ALA . 2.3 mp0 -68.29 -37.64 80.87 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.938 -0.573 . . . . 0.0 110.987 179.622 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 50' ' ' PHE . . . . . 0.596 ' CD1' ' SD ' ' A' ' 124' ' ' MET . 37.2 t80 -59.79 -48.09 83.08 Favored 'General case' 0 C--N 1.331 -0.205 0 C-N-CA 120.948 -0.301 . . . . 0.0 111.146 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 91.8 mtm180 -61.67 -40.89 96.54 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.493 -0.483 . . . . 0.0 110.495 -179.78 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -62.9 -38.87 92.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.048 0.451 . . . . 0.0 110.202 179.303 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 53' ' ' PHE . . . . . . . . . . . . . 85.3 t80 -59.25 -47.41 85.44 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.436 -179.724 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -62.58 -40.72 97.77 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.522 -179.659 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -62.67 -39.47 94.05 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.732 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 25.6 mmtp -61.94 -39.82 93.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.46 -179.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 21.3 tptm -61.33 -42.53 98.84 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 179.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.91 -29.89 70.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.718 179.737 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . -58.97 151.23 34.67 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 111.067 -0.813 . . . . 0.0 111.067 -179.425 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 83.0 p -70.01 160.22 32.36 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.917 0.389 . . . . 0.0 110.897 -179.418 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 61' ' ' GLN . . . . . 0.427 ' O ' ' OG ' ' B' ' 62' ' ' SER . 24.4 pt20 -153.06 29.61 0.5 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.568 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 62' ' ' SER . . . . . 0.427 ' OG ' ' O ' ' B' ' 61' ' ' GLN . 60.5 p . . . . . 0 C--O 1.22 -0.5 0 CA-C-O 117.97 -1.014 . . . . 0.0 110.593 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 12.9 mmt . . . . . 0 N--CA 1.49 1.541 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 64.2 mttp 54.92 38.29 30.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.552 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . 0.5 ' O ' ' N ' ' A' ' 80' ' ' ASP . 68.3 t0 -156.5 67.1 0.56 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.297 179.723 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.474 ' C ' ' O ' ' A' ' 78' ' ' ASP . 19.6 p 25.31 -88.87 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.441 0 O-C-N 123.941 0.776 . . . . 0.0 111.361 179.824 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.5 ' N ' ' O ' ' A' ' 78' ' ' ASP . 45.8 p-10 -120.93 104.49 9.87 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.5 179.606 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 85.6 p -80.73 -7.71 59.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.848 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 61.1 mp0 -56.44 -36.55 69.14 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.23 -0.656 . . . . 0.0 109.23 -179.212 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 21.5 pt-20 -66.17 -32.75 74.38 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.825 179.474 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -61.36 -46.24 91.05 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-O 120.922 0.391 . . . . 0.0 111.074 -178.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 4.2 mm -70.2 -33.14 53.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 116.168 -0.469 . . . . 0.0 109.912 178.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 42.5 ttm180 -61.41 -38.81 88.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.803 179.497 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -58.67 -38.81 78.99 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.168 -179.564 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.44 -33.44 72.54 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.609 179.336 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 54.2 m-85 -74.94 -40.23 60.91 Favored 'General case' 0 CA--C 1.528 0.124 0 C-N-CA 120.526 -0.47 . . . . 0.0 110.103 177.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -44.59 -29.33 0.72 Allowed 'General case' 0 CA--C 1.52 -0.195 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.217 -179.627 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 55.8 t -60.4 -39.79 82.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.508 179.514 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 18.1 m-85 -89.02 -27.15 21.04 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.795 -0.362 . . . . 0.0 110.861 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 64.8 t0 -88.04 72.27 9.23 Favored 'General case' 0 C--N 1.332 -0.159 0 N-CA-C 109.557 -0.535 . . . . 0.0 109.557 178.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.554 ' HZ3' ' CB ' ' B' ' 31' ' ' ASP . 65.3 pttt -68.77 -19.9 64.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.958 -179.34 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -83.8 -25.39 30.45 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.716 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 68.46 32.47 75.34 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.288 -1.125 . . . . 0.0 110.288 -179.531 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 57.8 t30 -94.38 -3.91 49.44 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.691 0.282 . . . . 0.0 110.824 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 94.26 5.72 61.91 Favored Glycine 0 CA--C 1.528 0.878 0 N-CA-C 111.422 -0.671 . . . . 0.0 111.422 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.455 ' CD1' ' N ' ' A' ' 99' ' ' TYR . 21.8 m-85 -136.24 158.59 44.06 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.766 0.317 . . . . 0.0 110.902 -179.871 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -131.23 149.59 33.49 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.165 0 N-CA-C 107.434 -1.321 . . . . 0.0 107.434 177.481 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 68.8 m -60.43 134.03 56.67 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 119.911 -0.715 . . . . 0.0 110.412 -179.061 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -65.75 -38.0 87.91 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.491 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -60.5 -42.01 95.46 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 112.521 0.563 . . . . 0.0 112.521 -178.115 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.402 ' O ' ' CG2' ' A' ' 108' ' ' VAL . 6.4 pt-20 -69.26 -29.08 66.9 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.447 -0.501 . . . . 0.0 110.569 -178.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 2.5 tt -61.05 -47.89 84.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 109.853 179.742 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.74 -49.96 73.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.139 -179.296 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . 0.596 ' NE2' HD21 ' A' ' 111' ' ' ASN . 86.5 t60 -61.57 -44.28 97.31 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.264 0.554 . . . . 0.0 110.229 179.515 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.402 ' CG2' ' O ' ' A' ' 104' ' ' GLU . 64.4 t -61.39 -39.84 84.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.35 -0.841 . . . . 0.0 110.2 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' MET . . . . . 0.47 ' N ' ' SD ' ' A' ' 109' ' ' MET . 0.0 OUTLIER -74.52 -25.07 59.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.857 -179.702 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 73.3 p -105.48 -17.21 14.5 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 112.294 0.479 . . . . 0.0 112.294 -178.468 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . 0.596 HD21 ' NE2' ' A' ' 107' ' ' HIS . 63.5 t30 -113.03 -50.39 2.88 Favored 'General case' 0 N--CA 1.469 0.495 0 N-CA-C 112.981 0.734 . . . . 0.0 112.981 -178.375 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 83.3 mt -86.83 155.28 20.35 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.777 0.322 . . . . 0.0 111.404 -178.394 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 62.24 -111.02 3.62 Favored Glycine 0 CA--C 1.521 0.438 0 C-N-CA 121.035 -0.602 . . . . 0.0 111.605 178.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . 0.523 ' CB ' HH22 ' B' ' 51' ' ' ARG . 79.5 mm-40 -99.41 166.54 11.13 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.419 -0.585 . . . . 0.0 109.419 178.918 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 46.1 mtpt -109.41 104.98 14.16 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.049 0.452 . . . . 0.0 109.782 178.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -86.3 151.36 23.66 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 108.677 -0.861 . . . . 0.0 108.677 179.187 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' THR . . . . . 0.442 ' OG1' ' OE1' ' A' ' 120' ' ' GLU . 69.1 p -87.78 169.93 11.65 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 120.661 -0.415 . . . . 0.0 109.979 179.39 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . 0.536 ' OD1' ' N ' ' A' ' 119' ' ' GLU . 40.7 p-10 -56.76 -40.95 76.76 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 120.674 -0.41 . . . . 0.0 110.537 -179.746 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . 0.536 ' N ' ' OD1' ' A' ' 118' ' ' ASP . 98.7 mt-10 -62.59 -41.26 98.85 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.622 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . 0.528 ' N ' ' OE1' ' A' ' 120' ' ' GLU . 0.5 OUTLIER -71.42 -41.43 69.53 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.919 0.39 . . . . 0.0 110.946 178.649 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 53.3 t -63.74 -42.33 95.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.12 179.766 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -60.55 -40.19 90.71 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.6 -0.44 . . . . 0.0 109.844 179.754 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -62.04 -40.77 96.86 Favored 'General case' 0 CA--C 1.518 -0.264 0 CA-C-O 121.441 0.638 . . . . 0.0 109.629 178.464 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' MET . . . . . 0.603 ' SD ' ' CG ' ' B' ' 50' ' ' PHE . 46.0 mmm -64.67 -41.6 95.97 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 114.899 -1.046 . . . . 0.0 110.147 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 1.2 mp -65.33 -37.68 80.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.762 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 42.8 ttm180 -60.12 -33.15 71.73 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.076 0.465 . . . . 0.0 110.045 179.315 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 57.8 mt-10 -95.67 -11.36 27.26 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.969 179.419 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . 0.444 ' O ' ' CB ' ' A' ' 129' ' ' ASP . . . -78.18 -67.69 0.71 Allowed 'General case' 0 N--CA 1.463 0.222 0 C-N-CA 120.881 -0.328 . . . . 0.0 111.364 -179.384 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . 0.522 ' OD2' ' ND2' ' A' ' 137' ' ' ASN . 1.2 m-20 163.78 -90.41 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.466 0 CA-C-O 121.12 0.486 . . . . 0.0 112.005 179.861 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . 0.61 ' C ' ' H ' ' A' ' 132' ' ' GLY . 61.0 mt 38.18 -124.86 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.737 -177.651 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . 0.597 ' H ' ' CG2' ' A' ' 130' ' ' ILE . 5.2 t70 73.6 -29.14 0.2 Allowed 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.193 -0.669 . . . . 0.0 109.193 -178.356 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . 0.61 ' H ' ' C ' ' A' ' 130' ' ' ILE . . . 161.23 -6.88 0.1 OUTLIER Glycine 0 CA--C 1.527 0.782 0 N-CA-C 110.108 -1.197 . . . . 0.0 110.108 -179.871 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -71.21 -42.34 69.07 Favored 'General case' 0 C--O 1.232 0.132 0 CA-C-O 121.131 0.491 . . . . 0.0 110.396 178.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 86.25 -12.54 60.21 Favored Glycine 0 CA--C 1.53 0.992 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.605 179.429 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -121.14 168.61 11.38 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 120.877 0.37 . . . . 0.0 110.863 -179.405 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 44.9 t -134.3 133.31 55.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.668 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . 0.522 ' ND2' ' OD2' ' A' ' 129' ' ' ASP . 0.0 OUTLIER -94.48 106.53 18.51 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 178.598 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 38.9 p90 -62.17 -14.05 33.6 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.715 -0.394 . . . . 0.0 111.401 -179.13 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -58.8 -49.94 75.82 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.196 -0.602 . . . . 0.0 110.426 -179.287 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 53.0 tp10 -61.04 -42.55 98.69 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.923 -0.311 . . . . 0.0 110.417 -179.497 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -59.48 -48.4 81.78 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.532 -0.467 . . . . 0.0 109.759 179.115 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 75.2 t -63.03 -43.17 98.88 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 C-N-CA 120.73 -0.388 . . . . 0.0 110.274 179.763 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 10.9 tp-100 -60.98 -41.53 96.62 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 108.658 -0.867 . . . . 0.0 108.658 178.673 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 2.0 ttp -65.94 -49.49 67.74 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 115.133 -0.939 . . . . 0.0 110.509 178.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 66.2 mtt -64.46 -35.84 82.23 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 112.942 0.719 . . . . 0.0 112.942 -179.295 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 146' ' ' THR . . . . . 0.547 ' O ' ' N ' ' A' ' 148' ' ' LYS . 44.5 p -68.04 -36.2 79.52 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 120.203 -0.599 . . . . 0.0 111.6 -178.697 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -55.97 82.22 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.983 0.421 . . . . 0.0 110.572 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . 0.547 ' N ' ' O ' ' A' ' 146' ' ' THR . 0.9 OUTLIER . . . . . 0 C--O 1.22 -0.473 0 CA-C-O 118.013 -0.994 . . . . 0.0 110.554 -179.729 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 30' ' ' PHE . . . . . . . . . . . . . 29.7 m-85 . . . . . 0 N--CA 1.49 1.562 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 31' ' ' ASP . . . . . 0.554 ' CB ' ' HZ3' ' A' ' 94' ' ' LYS . 96.8 m-20 56.99 36.5 27.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.187 0.518 . . . . 0.0 109.877 -179.22 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 77.4 mt -122.28 131.85 72.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.324 -0.853 . . . . 0.0 110.649 179.548 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 66.8 t0 -82.44 105.23 13.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.371 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 34' ' ' MET . . . . . . . . . . . . . 61.5 mtt -87.68 -8.79 55.69 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.08 -179.525 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 97.3 m-20 -74.87 -11.07 60.05 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.569 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -94.03 112.11 55.86 Favored Pre-proline 0 CA--C 1.539 0.554 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.901 -179.689 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 67.4 Cg_exo -52.4 -23.9 20.05 Favored 'Trans proline' 0 N--CA 1.497 1.719 0 C-N-CA 121.928 1.752 . . . . 0.0 111.976 178.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 60.9 mp0 -60.1 -37.98 81.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.353 -179.57 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 94.5 m -60.41 -41.17 93.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.101 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 66.4 mm-40 -60.66 -42.12 96.39 Favored 'General case' 0 C--N 1.331 -0.199 0 C-N-CA 120.866 -0.333 . . . . 0.0 110.416 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 33.4 mmt180 -64.12 -40.89 97.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.968 0.413 . . . . 0.0 110.171 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.97 -43.66 87.22 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 120.358 -0.537 . . . . 0.0 110.242 179.33 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.91 -40.71 87.75 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.537 -0.756 . . . . 0.0 112.369 -179.516 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -66.96 -37.6 79.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 C-N-CA 120.668 -0.413 . . . . 0.0 111.05 -178.232 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -63.57 -43.12 97.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.748 0.308 . . . . 0.0 111.151 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 96.7 mt -62.49 -46.52 96.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 121.238 0.542 . . . . 0.0 110.153 -179.716 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 47' ' ' GLN . . . . . 0.504 ' NE2' ' O ' ' A' ' 114' ' ' GLU . 81.2 mt-30 -63.35 -39.87 95.72 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.371 -0.832 . . . . 0.0 111.36 -179.753 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 94.2 p -63.46 -38.76 92.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.785 0.326 . . . . 0.0 110.755 -179.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 96.0 mm-40 -65.92 -38.47 88.77 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.456 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 50' ' ' PHE . . . . . 0.603 ' CG ' ' SD ' ' A' ' 124' ' ' MET . 30.9 t80 -58.56 -48.45 80.87 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 120.529 -0.468 . . . . 0.0 110.597 -179.356 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 51' ' ' ARG . . . . . 0.523 HH22 ' CB ' ' A' ' 114' ' ' GLU . 79.7 mtt85 -61.65 -40.19 94.03 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.797 -0.361 . . . . 0.0 110.62 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -64.26 -40.92 96.97 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.678 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 53' ' ' PHE . . . . . . . . . . . . . 73.3 t80 -60.03 -46.59 89.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.089 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 30.1 mm100 -62.0 -39.93 93.91 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.415 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 65.0 tttp -60.5 -44.41 96.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.364 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 27.1 tptp -60.87 -43.84 97.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.127 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 57' ' ' LYS . . . . . 0.435 ' O ' ' O ' ' B' ' 60' ' ' SER . 38.8 ttpt -60.59 -44.03 96.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.602 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.21 -39.06 88.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.568 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . -69.6 -10.18 63.23 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 111.352 -0.699 . . . . 0.0 111.352 -179.655 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 60' ' ' SER . . . . . 0.435 ' O ' ' O ' ' B' ' 57' ' ' LYS . 92.0 p -127.15 158.42 37.11 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.945 0.402 . . . . 0.0 110.724 -179.695 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 64.0 tt0 57.39 73.55 0.46 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.528 -179.803 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.219 -0.534 0 CA-C-O 118.023 -0.989 . . . . 0.0 110.562 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 9.2 tpt . . . . . 0 N--CA 1.49 1.574 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 98.2 mttt 54.33 38.96 30.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.375 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 59.5 p30 -103.36 12.84 34.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.694 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.3 m 72.91 77.13 0.14 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.034 0.445 . . . . 0.0 110.191 -179.484 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -112.24 140.91 46.55 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.996 -179.783 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 85.2 p -80.77 -6.68 58.84 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.34 179.46 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -54.32 -39.49 67.09 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.124 -0.489 . . . . 0.0 109.781 -179.424 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 23.3 pt-20 -63.89 -36.16 83.03 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.588 179.442 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -62.41 -47.01 85.99 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.748 -179.44 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 4.9 mm -66.53 -39.08 83.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 121.242 0.544 . . . . 0.0 109.718 179.34 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 42.2 ttm180 -58.19 -39.32 78.64 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.17 -0.923 . . . . 0.0 110.922 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -57.73 -40.1 78.82 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 -179.785 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.55 -38.86 89.02 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.142 179.6 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 54.4 m-85 -73.95 -42.45 60.5 Favored 'General case' 0 C--N 1.332 -0.161 0 C-N-CA 120.576 -0.45 . . . . 0.0 110.693 178.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 93.9 mtt-85 -49.24 -24.57 1.83 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.595 -178.636 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 56.3 t -62.53 -39.74 85.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.573 178.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 37.6 m-85 -82.12 -18.68 42.08 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 120.881 -0.328 . . . . 0.0 110.694 -179.782 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.448 ' OD1' ' OD1' ' A' ' 95' ' ' ASP . 64.6 t0 -96.49 97.09 9.14 Favored 'General case' 0 CA--C 1.53 0.211 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 179.379 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 64.8 pttt -79.26 -20.82 47.17 Favored 'General case' 0 N--CA 1.463 0.18 0 N-CA-C 113.574 0.953 . . . . 0.0 113.574 -178.407 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . 0.448 ' OD1' ' OD1' ' A' ' 93' ' ' ASP . 54.5 p30 -104.91 5.72 33.1 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.199 0.524 . . . . 0.0 110.322 179.67 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 43.84 43.03 6.59 Favored Glycine 0 CA--C 1.526 0.777 0 N-CA-C 109.923 -1.271 . . . . 0.0 109.923 179.411 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 63.2 t30 -90.12 -1.86 58.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.87 0.367 . . . . 0.0 110.835 -179.444 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 94.26 5.44 62.1 Favored Glycine 0 CA--C 1.525 0.712 0 C-N-CA 120.97 -0.633 . . . . 0.0 111.676 179.755 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.466 ' N ' ' CD1' ' A' ' 99' ' ' TYR . 14.0 m-85 -137.37 158.25 44.82 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-N 117.036 0.418 . . . . 0.0 110.577 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -131.88 152.93 37.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 N-CA-C 107.688 -1.227 . . . . 0.0 107.688 177.908 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 42.2 t -63.61 127.05 29.62 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 119.759 -0.776 . . . . 0.0 110.298 -179.589 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -61.28 -35.58 77.69 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.03 -179.614 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -58.68 -49.86 76.01 Favored 'General case' 0 CA--C 1.533 0.291 0 N-CA-C 112.115 0.413 . . . . 0.0 112.115 -178.125 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -61.59 -27.65 68.79 Favored 'General case' 0 C--N 1.332 -0.159 0 C-N-CA 120.204 -0.599 . . . . 0.0 110.741 -178.723 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 14.2 tp -60.96 -51.19 70.29 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.198 -0.667 . . . . 0.0 109.198 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 15.1 tpt180 -55.1 -51.81 65.23 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.826 -179.734 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . 0.401 ' O ' ' CB ' ' A' ' 111' ' ' ASN . 73.4 t60 -62.6 -48.68 78.37 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.9 0.381 . . . . 0.0 111.798 179.419 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 59.1 t -61.64 -43.22 96.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.807 -0.633 . . . . 0.0 112.63 -178.412 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.62 -30.12 70.32 Favored 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 120.933 -0.307 . . . . 0.0 111.709 -179.279 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 49.4 p -104.51 -6.73 20.33 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 120.65 -0.42 . . . . 0.0 112.022 -178.552 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . 0.401 ' CB ' ' O ' ' A' ' 107' ' ' HIS . 28.6 t-20 -107.72 -45.57 3.99 Favored 'General case' 0 N--CA 1.464 0.262 0 C-N-CA 120.782 -0.367 . . . . 0.0 111.486 -179.667 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 68.1 mt -105.91 -178.77 3.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.47 0.652 . . . . 0.0 111.622 -178.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 63.6 -124.41 31.15 Favored Glycine 0 CA--C 1.526 0.748 0 CA-C-N 114.854 -1.066 . . . . 0.0 112.83 178.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . 0.496 ' N ' ' OE1' ' B' ' 47' ' ' GLN . 99.5 mt-10 -98.71 17.91 18.15 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.499 -0.351 . . . . 0.0 111.523 -178.674 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.473 ' O ' ' O ' ' A' ' 114' ' ' GLU . 50.9 mttp 44.69 104.21 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.949 -0.568 . . . . 0.0 111.348 179.207 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -96.59 155.78 16.62 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.07 -0.513 . . . . 0.0 109.99 179.145 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' THR . . . . . 0.435 ' OG1' ' OE1' ' A' ' 120' ' ' GLU . 70.2 p -93.03 170.62 9.51 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 178.764 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -59.22 -39.89 84.11 Favored 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 120.736 -0.386 . . . . 0.0 110.974 -179.181 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 75.6 mm-40 -62.22 -43.53 98.63 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 120.499 -0.48 . . . . 0.0 110.892 -179.733 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . 0.52 ' OE1' ' N ' ' A' ' 120' ' ' GLU . 1.0 OUTLIER -68.31 -42.08 79.91 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.806 0.336 . . . . 0.0 111.002 179.278 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 70.6 t -63.87 -45.79 96.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.456 . . . . 0.0 109.971 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -54.59 -38.14 66.36 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 120.175 -0.61 . . . . 0.0 109.881 -178.263 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 75.4 mm-40 -61.91 -38.76 89.6 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.195 -0.669 . . . . 0.0 109.195 178.363 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' MET . . . . . 0.611 ' SD ' ' CD1' ' B' ' 50' ' ' PHE . 26.1 mmm -69.39 -40.34 77.45 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.352 -0.84 . . . . 0.0 111.097 179.86 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 1.3 mp -61.7 -42.13 93.13 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.246 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.034 -179.345 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 44.1 ttm180 -60.9 -31.58 71.08 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.045 0.45 . . . . 0.0 110.064 179.638 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -96.7 1.84 51.43 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.768 179.306 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -92.38 -83.94 0.29 Allowed 'General case' 0 CA--C 1.532 0.274 0 N-CA-C 112.037 0.384 . . . . 0.0 112.037 -178.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . 0.463 ' CG ' ' N ' ' A' ' 130' ' ' ILE . 29.0 t70 -179.74 -104.52 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.418 0 CA-C-O 121.299 0.571 . . . . 0.0 111.589 -179.461 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . 0.463 ' N ' ' CG ' ' A' ' 129' ' ' ASP . 73.4 mt 60.08 53.47 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.239 0 CA-C-N 115.184 -0.916 . . . . 0.0 111.022 -179.247 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 67.4 t0 -60.37 -42.31 95.55 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.854 -0.795 . . . . 0.0 108.854 178.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -174.06 -46.6 0.05 OUTLIER Glycine 0 CA--C 1.524 0.653 0 CA-C-N 115.412 -0.813 . . . . 0.0 111.085 179.548 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -62.05 -39.68 93.2 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 112.161 0.43 . . . . 0.0 112.161 -178.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 104.39 34.87 3.5 Favored Glycine 0 CA--C 1.529 0.921 0 C-N-CA 120.648 -0.787 . . . . 0.0 112.141 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -116.96 157.27 26.03 Favored 'General case' 0 N--CA 1.465 0.323 0 N-CA-C 109.876 -0.416 . . . . 0.0 109.876 178.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 25.7 t -131.88 130.95 61.86 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.142 0 CA-C-O 120.87 0.367 . . . . 0.0 111.852 -179.695 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . 0.447 ' OD1' ' O ' ' A' ' 137' ' ' ASN . 8.3 p30 -86.28 107.59 18.02 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.387 -0.597 . . . . 0.0 109.387 178.625 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 41.1 p90 -64.89 -10.14 26.42 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 120.523 -0.471 . . . . 0.0 112.174 -178.42 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -60.14 -49.56 77.15 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 119.929 -0.708 . . . . 0.0 110.855 -179.304 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 52.6 tp10 -61.69 -43.25 99.22 Favored 'General case' 0 N--CA 1.464 0.244 0 C-N-CA 121.092 -0.243 . . . . 0.0 111.075 -179.129 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -59.05 -45.02 91.82 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 110.043 -0.354 . . . . 0.0 110.043 179.466 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . 0.436 ' O ' ' OG1' ' A' ' 146' ' ' THR . 53.9 t -64.79 -44.23 96.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.335 179.107 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 11.0 tp-100 -61.87 -41.37 97.78 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 108.805 -0.813 . . . . 0.0 108.805 178.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 2.6 ttt -65.36 -49.71 68.33 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.083 -0.962 . . . . 0.0 109.983 178.55 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.25 -25.38 67.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.621 -0.263 . . . . 0.0 110.936 179.834 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 146' ' ' THR . . . . . 0.436 ' OG1' ' O ' ' A' ' 142' ' ' VAL . 1.3 m -104.94 18.51 22.23 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 121.025 -0.27 . . . . 0.0 110.658 -179.707 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -109.73 70.5 0.73 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.27 179.585 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 7.7 mmtt . . . . . 0 C--O 1.22 -0.47 0 CA-C-O 118.033 -0.984 . . . . 0.0 110.438 -179.876 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 30' ' ' PHE . . . . . 0.601 ' N ' ' CD1' ' B' ' 30' ' ' PHE . 0.1 OUTLIER . . . . . 0 N--CA 1.49 1.542 0 N-CA-C 109.087 -0.708 . . . . 0.0 109.087 . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 59.5 p30 -101.94 17.53 22.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.086 -179.574 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -90.43 167.51 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.968 0.413 . . . . 0.0 110.908 -179.31 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -87.74 84.69 7.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.409 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 34' ' ' MET . . . . . . . . . . . . . 54.6 mtt -63.52 -36.88 85.22 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.017 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 66.9 t0 -60.29 -40.02 88.98 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.946 -178.777 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.5 137.37 92.41 Favored Pre-proline 0 CA--C 1.536 0.428 0 C-N-CA 120.523 -0.471 . . . . 0.0 109.776 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -69.0 -22.0 36.23 Favored 'Trans proline' 0 N--CA 1.494 1.517 0 C-N-CA 122.168 1.912 . . . . 0.0 112.872 -179.153 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -62.5 -41.61 98.94 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.04 -179.511 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 91.8 m -64.81 -45.21 87.18 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.727 -0.389 . . . . 0.0 110.623 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -63.55 -40.95 98.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.443 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 18.0 mmm180 -63.94 -40.46 96.5 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.275 179.765 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -62.31 -39.99 94.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.428 179.733 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -61.31 -39.82 91.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.456 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 55.4 t -61.62 -45.93 97.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.479 -179.616 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -61.07 -46.58 90.11 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.744 -0.382 . . . . 0.0 111.164 -179.095 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 93.6 mt -65.2 -47.21 88.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 C-N-CA 120.675 -0.41 . . . . 0.0 110.911 179.785 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 47' ' ' GLN . . . . . 0.496 ' OE1' ' N ' ' A' ' 114' ' ' GLU . 77.5 mt-30 -65.78 -40.58 92.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.312 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 48.3 t -62.12 -45.54 93.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.997 0.427 . . . . 0.0 110.677 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 96.9 mm-40 -64.86 -38.29 90.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.184 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 50' ' ' PHE . . . . . 0.611 ' CD1' ' SD ' ' A' ' 124' ' ' MET . 37.2 t80 -58.5 -48.28 81.33 Favored 'General case' 0 C--N 1.332 -0.188 0 C-N-CA 120.599 -0.44 . . . . 0.0 110.464 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -62.26 -39.71 93.81 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.067 0.46 . . . . 0.0 109.774 179.353 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 39.4 ttmt -65.76 -38.06 88.04 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.837 179.393 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 53' ' ' PHE . . . . . . . . . . . . . 67.9 t80 -57.52 -49.37 76.54 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.998 -178.328 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 24.9 pt20 -68.42 -34.77 76.59 Favored 'General case' 0 C--N 1.332 -0.185 0 C-N-CA 120.205 -0.598 . . . . 0.0 111.064 -179.577 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 62.3 mttp -64.41 -39.42 93.82 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.788 -0.365 . . . . 0.0 110.576 179.016 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 25.4 mmtp -61.54 -43.48 98.78 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 120.658 -0.417 . . . . 0.0 110.053 -179.739 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 19.6 ttmm -64.27 -45.31 88.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.982 0.42 . . . . 0.0 109.977 178.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . 36.38 60.81 0.86 Allowed 'General case' 0 C--O 1.231 0.131 0 CA-C-N 115.572 -0.74 . . . . 0.0 111.058 179.622 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . -60.59 -40.21 97.55 Favored Glycine 0 CA--C 1.526 0.732 0 N-CA-C 110.847 -0.901 . . . . 0.0 110.847 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 31.0 t -89.49 127.81 35.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.753 0.311 . . . . 0.0 110.482 179.799 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 53.9 tt0 -61.68 -41.17 97.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.359 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 6.5 t . . . . . 0 C--O 1.22 -0.491 0 CA-C-O 117.998 -1.001 . . . . 0.0 110.559 179.987 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' MET . . . . . 0.455 ' H1 ' ' H ' ' A' ' 77' ' ' LYS . 9.7 tpt . . . . . 0 N--CA 1.49 1.537 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.455 ' H ' ' H1 ' ' A' ' 76' ' ' MET . 23.3 pttp -60.77 -34.69 74.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.731 -179.839 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 48.7 m-20 63.46 -77.21 0.03 OUTLIER 'General case' 0 N--CA 1.462 0.167 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.345 -179.187 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.467 ' O ' ' C ' ' A' ' 80' ' ' ASP . 7.5 m 60.55 61.17 1.79 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.714 179.731 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.467 ' C ' ' O ' ' A' ' 79' ' ' THR . 1.2 p30 -23.51 92.84 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.429 0 O-C-N 124.017 0.823 . . . . 0.0 111.85 -179.419 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 66.2 m -81.15 -5.37 57.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.474 -0.785 . . . . 0.0 110.831 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -55.87 -36.75 67.94 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 -179.012 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 23.2 pt-20 -67.77 -26.29 66.04 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.306 -0.861 . . . . 0.0 111.327 179.613 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -61.85 -46.2 90.48 Favored 'General case' 0 N--CA 1.463 0.223 0 C-N-CA 120.812 -0.355 . . . . 0.0 110.768 -178.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 2.1 mt -75.2 -26.02 18.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-O 121.152 0.501 . . . . 0.0 110.161 179.637 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 80.3 ttt180 -61.49 -43.01 99.63 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.398 -0.593 . . . . 0.0 109.398 178.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -59.92 -40.5 89.09 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.642 -0.708 . . . . 0.0 109.607 179.341 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.96 -36.01 78.26 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.737 -0.665 . . . . 0.0 109.952 179.075 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.443 ' O ' ' OD1' ' A' ' 93' ' ' ASP . 33.2 m-85 -71.34 -42.69 68.22 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.503 -0.479 . . . . 0.0 110.264 178.575 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -44.08 -36.15 2.44 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.474 -178.903 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 8.7 p -55.84 -30.82 28.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 C-N-CA 120.368 -0.533 . . . . 0.0 110.533 -179.448 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 40.2 m-85 -96.31 -29.89 13.73 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 179.764 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.564 ' N ' ' OD1' ' A' ' 93' ' ' ASP . 0.0 OUTLIER -86.59 62.69 7.56 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-O 121.437 0.637 . . . . 0.0 109.59 179.814 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 26.6 pttm -71.41 -20.7 62.09 Favored 'General case' 0 C--N 1.33 -0.271 0 O-C-N 121.919 -0.488 . . . . 0.0 111.532 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -75.08 -26.21 59.16 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.448 179.691 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 70.12 25.22 75.91 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.776 -0.93 . . . . 0.0 110.776 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 53.2 p-10 -92.3 -3.92 54.72 Favored 'General case' 0 C--N 1.331 -0.229 0 C-N-CA 120.903 -0.319 . . . . 0.0 110.962 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 95.04 -2.8 66.39 Favored Glycine 0 CA--C 1.531 1.04 0 C-N-CA 121.031 -0.604 . . . . 0.0 111.688 179.707 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.466 ' CD1' ' N ' ' A' ' 99' ' ' TYR . 10.9 m-85 -125.12 159.04 32.38 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 121.37 0.605 . . . . 0.0 111.823 -178.636 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -129.51 143.22 41.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 N-CA-C 107.633 -1.247 . . . . 0.0 107.633 178.169 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 68.3 m -61.32 134.03 56.51 Favored 'General case' 0 C--N 1.323 -0.581 0 C-N-CA 119.484 -0.886 . . . . 0.0 109.933 -179.425 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -62.67 -38.65 91.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.952 0.406 . . . . 0.0 110.708 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -59.75 -40.78 89.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.754 -179.173 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -64.42 -39.86 94.66 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.677 -0.238 . . . . 0.0 110.866 179.431 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 51.0 tp -60.02 -47.12 87.16 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.652 -0.419 . . . . 0.0 110.17 -179.11 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 6.2 tmm_? -58.29 -49.35 77.46 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.632 -0.427 . . . . 0.0 110.92 -178.826 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . 0.455 ' HE2' ' CE ' ' B' ' 34' ' ' MET . 75.3 t60 -60.29 -47.43 86.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.077 0.465 . . . . 0.0 111.124 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 55.7 t -60.62 -36.05 67.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-N 115.523 -0.762 . . . . 0.0 111.468 -179.681 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' MET . . . . . 0.485 ' N ' ' SD ' ' A' ' 109' ' ' MET . 0.0 OUTLIER -81.29 -20.94 39.77 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 111.962 0.356 . . . . 0.0 111.962 -179.361 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 55.5 p -103.85 -22.29 13.53 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 120.288 -0.565 . . . . 0.0 110.973 -179.246 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 29.5 t-20 -108.98 -47.93 3.36 Favored 'General case' 0 N--CA 1.464 0.27 0 N-CA-C 112.502 0.556 . . . . 0.0 112.502 -178.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.481 ' O ' ' O ' ' A' ' 113' ' ' GLY . 90.6 mt -94.69 143.35 26.51 Favored 'General case' 0 N--CA 1.465 0.323 0 N-CA-C 112.411 0.523 . . . . 0.0 112.411 -178.121 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . 0.546 ' O ' ' C ' ' A' ' 114' ' ' GLU . . . 54.24 124.56 0.01 OUTLIER Glycine 0 CA--C 1.524 0.622 0 CA-C-N 115.035 -0.984 . . . . 0.0 111.699 178.831 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . 0.546 ' C ' ' O ' ' A' ' 113' ' ' GLY . 45.8 mp0 14.28 86.16 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.673 0 O-C-N 123.985 0.462 . . . . 0.0 111.134 179.211 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -47.52 132.53 13.61 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.177 0.513 . . . . 0.0 111.626 -177.643 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -91.01 159.0 16.37 Favored 'General case' 0 C--O 1.231 0.117 0 N-CA-C 108.238 -1.023 . . . . 0.0 108.238 177.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' THR . . . . . 0.453 ' OG1' ' OE1' ' A' ' 120' ' ' GLU . 72.3 p -93.4 172.07 8.51 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 120.512 -0.475 . . . . 0.0 110.114 179.416 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -59.06 -41.72 88.62 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.029 -179.332 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -62.81 -42.32 99.67 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.943 -0.303 . . . . 0.0 110.904 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . 0.509 ' N ' ' OE1' ' A' ' 120' ' ' GLU . 0.7 OUTLIER -67.71 -46.88 70.95 Favored 'General case' 0 C--N 1.332 -0.192 0 C-N-CA 120.722 -0.391 . . . . 0.0 110.764 179.137 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 68.0 t -63.58 -42.52 96.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.104 -179.701 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -56.03 -39.37 71.85 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.006 -0.678 . . . . 0.0 109.476 -179.006 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 53.3 tp10 -63.23 -38.1 89.86 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.238 -0.652 . . . . 0.0 109.238 178.169 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' MET . . . . . 0.423 ' CG ' ' CZ ' ' B' ' 50' ' ' PHE . 96.1 mtp -70.08 -39.53 75.53 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.75 179.821 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 1.2 mp -59.47 -38.48 75.42 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.138 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.654 -179.585 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 83.8 mtp180 -67.83 -26.61 66.14 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.866 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 -96.14 -11.32 26.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.873 179.69 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . 0.483 ' O ' ' CG ' ' A' ' 129' ' ' ASP . . . -77.68 -66.96 0.77 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.65 -178.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . 0.483 ' CG ' ' O ' ' A' ' 128' ' ' ALA . 13.0 m-20 155.76 -99.32 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.862 0 O-C-N 123.428 0.455 . . . . 0.0 110.774 179.797 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . 0.538 ' CG2' ' H ' ' A' ' 131' ' ' ASP . 62.2 mt 61.17 -118.65 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.202 -179.208 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . 0.538 ' H ' ' CG2' ' A' ' 130' ' ' ILE . 11.0 t0 76.09 -26.28 0.19 Allowed 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.168 -178.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . 0.51 ' H ' ' C ' ' A' ' 130' ' ' ILE . . . 176.8 -66.63 0.09 OUTLIER Glycine 0 CA--C 1.524 0.63 0 N-CA-C 110.421 -1.072 . . . . 0.0 110.421 179.873 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -47.1 -36.94 8.88 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 121.149 -0.22 . . . . 0.0 110.849 -178.126 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 74.29 28.39 64.07 Favored Glycine 0 CA--C 1.523 0.56 0 C-N-CA 120.467 -0.873 . . . . 0.0 111.671 179.062 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 83.3 mm-40 -120.76 149.98 41.69 Favored 'General case' 0 CA--C 1.52 -0.193 0 N-CA-C 108.877 -0.786 . . . . 0.0 108.877 178.225 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 43.0 t -127.98 134.77 64.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-O 121.13 0.491 . . . . 0.0 112.195 -178.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . 0.434 ' OD1' ' O ' ' A' ' 137' ' ' ASN . 35.3 p-10 -93.72 111.21 22.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.59 -0.732 . . . . 0.0 109.334 178.649 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 43.1 p90 -61.41 -10.97 8.53 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 120.495 -0.482 . . . . 0.0 112.032 -178.61 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -58.9 -50.19 74.97 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 119.794 -0.762 . . . . 0.0 110.123 -179.259 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 52.6 tp10 -60.4 -43.14 96.97 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 121.038 -0.265 . . . . 0.0 110.789 -179.371 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -60.66 -42.49 97.14 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 120.26 -0.576 . . . . 0.0 110.2 179.473 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 47.5 t -63.68 -40.84 90.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 C-N-CA 120.639 -0.424 . . . . 0.0 110.477 178.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . 0.414 ' O ' ' CB ' ' A' ' 147' ' ' ALA . 96.8 mt-30 -62.3 -40.27 95.74 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.47 -0.566 . . . . 0.0 109.47 179.215 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 71.2 mtp -59.71 -44.19 93.82 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 178.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 55.8 mtt -72.42 -18.61 61.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.356 -0.838 . . . . 0.0 111.864 -179.586 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 67.1 p -118.2 16.87 14.04 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-O 120.624 0.25 . . . . 0.0 111.033 -179.29 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . 0.414 ' CB ' ' O ' ' A' ' 143' ' ' GLN . . . -126.64 49.72 2.01 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.009 179.322 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.22 -0.474 0 CA-C-O 118.029 -0.986 . . . . 0.0 110.546 -179.764 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 30' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 . . . . . 0 N--CA 1.489 1.517 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 53.75 43.23 31.33 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.864 179.689 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 4.2 pt -120.71 162.47 19.36 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.222 0 N-CA-C 109.798 -0.445 . . . . 0.0 109.798 179.814 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -81.86 80.88 8.04 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.511 -0.552 . . . . 0.0 109.511 179.11 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 34' ' ' MET . . . . . 0.455 ' CE ' ' HE2' ' A' ' 107' ' ' HIS . 85.0 mtp -68.15 -29.63 68.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.001 -179.115 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 55.1 p30 -76.41 -0.16 21.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.309 -179.016 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -89.05 116.91 67.6 Favored Pre-proline 0 CA--C 1.539 0.536 0 C-N-CA 120.785 -0.366 . . . . 0.0 110.202 179.565 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 82.6 Cg_exo -50.01 -28.67 19.54 Favored 'Trans proline' 0 N--CA 1.497 1.707 0 C-N-CA 121.723 1.615 . . . . 0.0 112.107 179.274 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -60.99 -39.87 91.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.667 -179.501 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 92.6 m -63.34 -42.15 98.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.822 0.344 . . . . 0.0 110.219 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 53.9 tp10 -60.64 -43.47 97.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 109.978 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 18.1 mmm180 -62.73 -40.69 97.98 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.781 -0.368 . . . . 0.0 110.072 179.729 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -62.45 -40.93 98.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.343 179.571 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -61.81 -41.92 98.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.467 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 61.0 t -63.89 -45.25 97.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.817 -179.441 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -60.75 -43.67 97.66 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.919 -0.313 . . . . 0.0 111.44 -178.741 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 46' ' ' ILE . . . . . 0.401 HG21 HD12 ' B' ' 46' ' ' ILE . 91.9 mt -63.0 -47.03 94.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-O 121.004 0.43 . . . . 0.0 110.621 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 47' ' ' GLN . . . . . 0.517 ' NE2' ' O ' ' A' ' 113' ' ' GLY . 84.5 mt-30 -65.13 -40.39 94.37 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.791 -0.641 . . . . 0.0 111.465 -179.4 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 48.4 t -60.7 -46.4 90.53 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.501 -179.366 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -65.55 -38.63 90.15 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.67 -0.493 . . . . 0.0 109.67 179.38 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 50' ' ' PHE . . . . . 0.423 ' CZ ' ' CG ' ' A' ' 124' ' ' MET . 53.0 t80 -60.28 -39.71 87.85 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.714 179.877 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 44.6 ttm180 -58.51 -42.34 87.46 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 110.088 -0.338 . . . . 0.0 110.088 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 40.2 ttmt -60.84 -39.7 90.05 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.024 0.44 . . . . 0.0 110.032 179.478 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 53' ' ' PHE . . . . . . . . . . . . . 55.2 t80 -59.59 -38.97 82.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.648 -179.74 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 54' ' ' GLN . . . . . 0.421 ' OE1' ' CE2' ' B' ' 50' ' ' PHE . 26.1 mt-30 -60.92 -38.85 87.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.653 -179.488 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 2.3 mmmm -60.61 -39.31 87.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.54 -179.72 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 4.8 mmtp -60.22 -41.99 94.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.611 179.662 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 64.3 tttm -60.72 -43.74 97.48 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.892 -0.41 . . . . 0.0 109.892 179.814 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -99.73 46.11 0.97 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.42 179.77 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . -60.38 -41.3 98.44 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 110.392 -1.083 . . . . 0.0 110.392 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 83.2 p -142.43 129.42 20.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.744 0.306 . . . . 0.0 110.244 179.139 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -67.17 -39.39 86.45 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.783 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 62.0 m . . . . . 0 C--O 1.221 -0.423 0 CA-C-O 117.952 -1.023 . . . . 0.0 110.626 -179.92 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 8.4 mtm . . . . . 0 N--CA 1.49 1.543 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 63.6 pttt -67.57 153.15 44.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.663 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 55.1 t0 54.18 63.41 2.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.139 -0.482 . . . . 0.0 109.865 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER 177.91 16.19 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.416 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.727 179.667 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 65.9 t0 -107.93 127.07 53.42 Favored 'General case' 0 C--O 1.226 -0.146 0 CA-C-O 120.857 0.361 . . . . 0.0 111.02 -179.21 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 68.0 m -80.9 -5.67 57.69 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.262 179.483 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -57.35 -39.21 75.49 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -69.42 -31.88 70.5 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.693 -0.685 . . . . 0.0 111.217 179.283 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -61.79 -43.71 98.31 Favored 'General case' 0 C--O 1.233 0.236 0 C-N-CA 120.415 -0.514 . . . . 0.0 110.519 -179.298 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 3.1 mm -70.54 -31.41 46.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.1 -0.5 . . . . 0.0 109.814 178.75 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 41.8 ttm180 -62.49 -37.93 87.91 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.593 -0.731 . . . . 0.0 110.287 179.106 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -58.45 -37.36 75.28 Favored 'General case' 0 C--N 1.334 -0.103 0 CA-C-N 116.045 -0.525 . . . . 0.0 109.802 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -59.74 -32.24 70.37 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.336 179.134 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.442 ' O ' ' OD1' ' A' ' 93' ' ' ASP . 72.4 m-85 -77.88 -38.18 46.44 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 120.611 -0.436 . . . . 0.0 110.321 178.035 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 1.8 mpt_? -47.96 -29.15 3.17 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.655 -179.425 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 48.4 t -60.06 -38.93 78.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-O 120.929 0.395 . . . . 0.0 110.161 179.255 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.405 ' CD1' ' OE1' ' A' ' 104' ' ' GLU . 22.5 m-85 -89.0 -24.96 22.25 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.336 179.769 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.568 ' N ' ' OD1' ' A' ' 93' ' ' ASP . 0.0 OUTLIER -85.84 62.95 7.77 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-O 121.12 0.486 . . . . 0.0 110.394 -179.475 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 16.6 ptpt -69.8 -24.21 63.45 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.863 -0.335 . . . . 0.0 111.883 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . 0.527 ' OD1' ' N ' ' A' ' 96' ' ' GLY . 55.0 p-10 -72.8 -25.47 61.16 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.764 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . 0.527 ' N ' ' OD1' ' A' ' 95' ' ' ASP . . . 69.26 25.45 75.44 Favored Glycine 0 CA--C 1.526 0.75 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 57.5 t30 -94.01 -7.67 42.11 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.658 0.266 . . . . 0.0 110.963 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 95.83 8.2 58.29 Favored Glycine 0 CA--C 1.529 0.932 0 N-CA-C 111.091 -0.804 . . . . 0.0 111.091 -179.681 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.455 ' CD1' ' N ' ' A' ' 99' ' ' TYR . 12.6 m-85 -133.5 156.39 47.85 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-O 121.168 0.509 . . . . 0.0 111.992 -179.11 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -130.7 143.51 40.69 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.152 0 N-CA-C 107.7 -1.222 . . . . 0.0 107.7 177.896 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 41.4 t -59.47 135.9 57.81 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 119.917 -0.713 . . . . 0.0 110.295 -179.397 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -63.71 -37.75 88.52 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.026 0.441 . . . . 0.0 110.923 179.768 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -59.33 -41.71 89.75 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.724 -0.671 . . . . 0.0 112.777 -177.764 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.442 ' O ' ' CG2' ' A' ' 108' ' ' VAL . 0.6 OUTLIER -67.83 -29.43 68.58 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.162 -0.615 . . . . 0.0 110.65 -179.371 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 23.3 tp -62.56 -48.44 79.45 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.057 -0.52 . . . . 0.0 109.638 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 8.5 tmm_? -58.43 -50.14 74.76 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.617 -179.092 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . 0.546 ' ND1' ' OD1' ' A' ' 111' ' ' ASN . 62.3 t60 -61.13 -47.0 88.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.411 0.624 . . . . 0.0 110.619 179.704 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.442 ' CG2' ' O ' ' A' ' 104' ' ' GLU . 56.3 t -60.79 -38.3 78.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 115.038 -0.983 . . . . 0.0 111.181 -179.342 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' MET . . . . . 0.416 ' N ' ' SD ' ' A' ' 109' ' ' MET . 0.0 OUTLIER -76.01 -25.78 56.05 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.625 -179.538 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 58.7 p -104.53 -17.22 14.8 Favored 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 120.513 -0.475 . . . . 0.0 112.201 -178.303 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . 0.546 ' OD1' ' ND1' ' A' ' 107' ' ' HIS . 26.4 m120 -113.1 -49.49 2.92 Favored 'General case' 0 N--CA 1.469 0.52 0 N-CA-C 113.27 0.841 . . . . 0.0 113.27 -178.478 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.491 ' O ' ' O ' ' A' ' 113' ' ' GLY . 89.5 mt -88.14 148.68 24.31 Favored 'General case' 0 N--CA 1.467 0.377 0 C-N-CA 120.86 -0.336 . . . . 0.0 111.445 -178.608 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . 0.562 ' O ' ' NE2' ' B' ' 47' ' ' GLN . . . 41.23 101.41 0.01 OUTLIER Glycine 0 C--N 1.336 0.567 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 179.439 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . 0.504 ' O ' ' O ' ' A' ' 113' ' ' GLY . 97.6 mt-10 52.26 165.3 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 117.096 0.448 . . . . 0.0 110.325 179.53 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -124.02 118.77 27.73 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.835 -0.346 . . . . 0.0 111.089 -179.312 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . 0.5 ' CD2' ' NE2' ' B' ' 47' ' ' GLN . 4.5 mm? -85.92 155.08 21.07 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 108.665 -0.865 . . . . 0.0 108.665 178.41 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' THR . . . . . 0.441 ' OG1' ' OE1' ' A' ' 120' ' ' GLU . 70.7 p -90.49 171.93 9.07 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.635 -0.426 . . . . 0.0 109.933 179.425 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -58.35 -42.64 87.36 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.875 -0.33 . . . . 0.0 110.653 -179.568 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -61.84 -40.3 94.81 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.953 -179.548 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . 0.526 ' N ' ' OE1' ' A' ' 120' ' ' GLU . 0.5 OUTLIER -71.68 -40.74 69.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.049 0.452 . . . . 0.0 110.423 178.433 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 53.2 t -65.24 -41.5 91.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.085 179.784 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 68.2 t0 -59.23 -42.02 90.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.153 -179.116 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -61.74 -37.14 83.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.387 0.613 . . . . 0.0 110.363 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' MET . . . . . 0.596 ' SD ' ' CD1' ' B' ' 50' ' ' PHE . 2.4 mmm -77.28 -33.05 55.9 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.11 -0.95 . . . . 0.0 110.225 179.314 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -66.56 -36.52 77.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.145 -178.428 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 5.9 tpt180 -63.23 -63.52 1.17 Allowed 'General case' 0 C--N 1.332 -0.157 0 C-N-CA 120.407 -0.517 . . . . 0.0 110.01 -179.152 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -59.76 -8.6 2.18 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.664 -178.734 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . 0.465 ' O ' ' CB ' ' A' ' 129' ' ' ASP . . . -74.05 -69.18 0.46 Allowed 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.858 -0.337 . . . . 0.0 111.138 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . 0.465 ' CB ' ' O ' ' A' ' 128' ' ' ALA . 6.9 m-20 157.67 -88.95 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.679 0 CA-C-O 121.038 0.447 . . . . 0.0 110.703 179.847 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . 0.521 ' C ' ' H ' ' A' ' 132' ' ' GLY . 73.7 mt 61.55 -112.86 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 115.443 -0.799 . . . . 0.0 111.615 -179.638 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . 0.488 ' N ' ' CG2' ' A' ' 130' ' ' ILE . 13.1 t0 73.78 -12.52 0.84 Allowed 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.073 -178.748 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . 0.521 ' H ' ' C ' ' A' ' 130' ' ' ILE . . . 142.12 -46.43 0.88 Allowed Glycine 0 CA--C 1.523 0.546 0 N-CA-C 110.612 -0.995 . . . . 0.0 110.612 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -56.36 -36.79 69.19 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 110.209 -0.293 . . . . 0.0 110.209 -178.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 73.04 39.11 54.76 Favored Glycine 0 CA--C 1.523 0.534 0 C-N-CA 120.511 -0.852 . . . . 0.0 111.95 178.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 16.7 pt20 -126.1 142.91 51.32 Favored 'General case' 0 CA--C 1.517 -0.323 0 CA-C-O 121.234 0.54 . . . . 0.0 110.346 178.627 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 55.3 t -129.7 134.72 62.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 115.07 -0.968 . . . . 0.0 112.186 -178.572 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 55.3 t-20 -94.02 109.36 21.11 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.029 -1.1 . . . . 0.0 108.029 177.835 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . 0.482 ' CE2' ' OD2' ' A' ' 93' ' ' ASP . 40.5 p90 -61.62 -9.93 7.18 Favored 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 120.558 -0.457 . . . . 0.0 112.096 -178.234 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 75.4 mm-40 -59.84 -50.15 74.91 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 119.661 -0.816 . . . . 0.0 110.215 -179.452 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -61.18 -40.42 93.86 Favored 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 120.863 -0.335 . . . . 0.0 110.847 -179.36 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -61.4 -45.44 94.33 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 120.598 -0.441 . . . . 0.0 110.041 179.102 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . 0.454 ' O ' ' OG1' ' A' ' 146' ' ' THR . 56.1 t -63.8 -41.17 91.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.508 179.15 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . 0.496 ' NE2' ' O ' ' A' ' 143' ' ' GLN . 1.2 tm0? -56.8 -43.29 80.79 Favored 'General case' 0 N--CA 1.455 -0.212 0 N-CA-C 109.177 -0.675 . . . . 0.0 109.177 -179.757 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 73.0 mtm -59.64 -40.78 88.76 Favored 'General case' 0 N--CA 1.455 -0.211 0 N-CA-C 108.807 -0.812 . . . . 0.0 108.807 179.13 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 66.2 mtt -73.17 -19.11 61.18 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.663 -0.699 . . . . 0.0 111.596 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 146' ' ' THR . . . . . 0.454 ' OG1' ' O ' ' A' ' 142' ' ' VAL . 0.2 OUTLIER -94.92 23.76 5.3 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.939 -0.304 . . . . 0.0 110.796 -179.843 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -119.04 76.49 1.11 Allowed 'General case' 0 C--N 1.332 -0.181 0 N-CA-C 109.898 -0.408 . . . . 0.0 109.898 179.349 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.22 -0.482 0 CA-C-O 118.017 -0.992 . . . . 0.0 110.584 -179.624 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 30' ' ' PHE . . . . . . . . . . . . . 22.2 m-85 . . . . . 0 N--CA 1.489 1.498 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 55.99 33.34 21.61 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.2 0.524 . . . . 0.0 110.064 -179.339 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 58.9 mt -126.37 126.04 68.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.489 179.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -76.12 128.69 35.49 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.802 -179.669 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 34' ' ' MET . . . . . . . . . . . . . 62.9 mtt -101.77 -8.47 21.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.624 179.616 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -62.49 -39.93 95.04 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.741 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -66.83 132.56 93.96 Favored Pre-proline 0 CA--C 1.537 0.454 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.301 -179.813 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -70.88 -22.35 27.08 Favored 'Trans proline' 0 N--CA 1.492 1.434 0 C-N-CA 122.017 1.811 . . . . 0.0 112.384 -179.774 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -62.98 -38.1 89.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.989 -179.523 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 99.1 m -59.79 -45.16 93.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.527 -0.306 . . . . 0.0 110.466 -179.492 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -61.73 -40.04 93.67 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.728 -0.471 . . . . 0.0 109.728 179.434 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.57 -43.26 89.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.533 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -61.7 -40.76 96.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.47 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -61.79 -41.11 97.31 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.519 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 62.7 t -63.17 -44.76 99.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.292 -179.762 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -60.75 -44.89 96.13 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.484 -0.325 . . . . 0.0 111.272 -178.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 97.0 mt -64.4 -46.91 91.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 C-N-CA 120.594 -0.442 . . . . 0.0 110.267 179.774 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 47' ' ' GLN . . . . . 0.562 ' NE2' ' O ' ' A' ' 113' ' ' GLY . 33.9 mt-30 -64.96 -41.48 95.44 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.512 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 48.3 t -61.75 -46.42 89.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.998 0.427 . . . . 0.0 110.337 -179.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 72.1 tp60 -65.78 -39.24 90.79 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.482 179.813 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 50' ' ' PHE . . . . . 0.596 ' CD1' ' SD ' ' A' ' 124' ' ' MET . 38.5 t80 -59.0 -47.06 86.56 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.961 -179.623 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -60.31 -41.09 92.76 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.619 -0.432 . . . . 0.0 110.077 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 64.7 mmtt -65.74 -39.43 91.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.763 179.369 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 53' ' ' PHE . . . . . . . . . . . . . 93.0 t80 -60.07 -49.79 76.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.435 -179.019 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 23.0 pt20 -71.27 -26.62 62.96 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.693 -0.403 . . . . 0.0 110.671 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -61.92 -41.86 98.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.153 179.599 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 64.2 tttm -60.03 -44.03 94.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.594 -179.75 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 64.7 tttp -60.55 -44.27 96.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.818 -179.691 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -95.37 15.98 18.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.605 -179.189 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . -60.18 -44.54 97.29 Favored Glycine 0 CA--C 1.526 0.73 0 N-CA-C 110.757 -0.937 . . . . 0.0 110.757 -179.701 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 50.2 m 41.47 41.15 1.49 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.586 0.231 . . . . 0.0 110.945 179.195 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 20.5 pt20 -64.33 151.19 44.53 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.858 -0.337 . . . . 0.0 110.79 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 2.8 m . . . . . 0 C--O 1.221 -0.43 0 CA-C-O 117.944 -1.027 . . . . 0.0 110.68 -179.977 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 95.7 mmm . . . . . 0 N--CA 1.489 1.496 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.408 ' O ' ' OD1' ' A' ' 78' ' ' ASP . 62.6 pttt -132.1 28.89 4.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.837 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . 0.408 ' OD1' ' O ' ' A' ' 77' ' ' LYS . 98.7 m-20 -138.24 111.85 8.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.21 179.412 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.401 ' O ' ' CB ' ' A' ' 80' ' ' ASP . 24.9 m -85.76 -56.77 3.33 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 120.857 -0.337 . . . . 0.0 110.431 -179.697 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.401 ' CB ' ' O ' ' A' ' 79' ' ' THR . 10.8 t0 75.58 142.9 0.07 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.163 179.861 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 87.3 p -77.53 -7.36 56.16 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.89 179.807 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -54.24 -35.9 62.97 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 120.423 -0.511 . . . . 0.0 109.711 -179.32 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 25.5 pt-20 -66.51 -32.9 74.54 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.894 179.454 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 53.5 tp10 -60.95 -47.61 85.62 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-O 121.072 0.463 . . . . 0.0 110.214 -179.102 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 4.4 mm -66.73 -35.06 73.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.122 178.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.574 ' CZ ' ' NH2' ' A' ' 90' ' ' ARG . 79.8 ttt180 -60.59 -38.91 86.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.108 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 70.9 mm-40 -58.58 -37.72 76.37 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.868 0.366 . . . . 0.0 110.022 -179.802 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -59.85 -35.2 74.26 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.278 179.036 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 72.7 m-85 -79.18 -38.15 36.55 Favored 'General case' 0 CA--C 1.531 0.216 0 C-N-CA 120.845 -0.342 . . . . 0.0 110.599 178.529 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.574 ' NH2' ' CZ ' ' A' ' 86' ' ' ARG . 95.2 mtt-85 -51.22 -28.43 11.44 Favored 'General case' 0 N--CA 1.463 0.21 0 C-N-CA 120.716 -0.394 . . . . 0.0 110.704 -178.573 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 55.6 t -60.83 -38.19 78.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 N-CA-C 109.798 -0.445 . . . . 0.0 109.798 178.229 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -85.28 -23.42 28.17 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.778 -0.647 . . . . 0.0 111.223 -179.694 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 58.9 t0 -89.89 71.76 7.56 Favored 'General case' 0 N--CA 1.463 0.203 0 C-N-CA 120.635 -0.426 . . . . 0.0 110.268 179.257 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 20.5 ptmt -70.5 -26.73 63.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.966 0.412 . . . . 0.0 110.961 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -71.14 -25.41 62.56 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.769 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 68.32 26.78 74.06 Favored Glycine 0 CA--C 1.527 0.803 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 58.5 t30 -91.66 -5.12 54.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.696 0.284 . . . . 0.0 110.868 -179.753 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . 0.403 ' O ' ' CE2' ' A' ' 138' ' ' TYR . . . 98.3 -7.78 62.19 Favored Glycine 0 CA--C 1.527 0.817 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 -179.715 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.51 ' CD1' ' N ' ' A' ' 99' ' ' TYR . 9.4 m-85 -120.73 160.89 22.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.049 0.452 . . . . 0.0 111.096 -178.858 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -131.94 146.48 33.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 N-CA-C 108.131 -1.063 . . . . 0.0 108.131 178.492 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 41.1 t -59.68 133.03 55.72 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 119.643 -0.823 . . . . 0.0 109.712 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -65.35 -38.64 90.7 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.028 0.442 . . . . 0.0 111.214 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -59.19 -40.82 86.95 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.795 -0.639 . . . . 0.0 112.134 -177.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.453 ' OE1' ' CG2' ' B' ' 32' ' ' ILE . 4.7 pt-20 -69.78 -30.72 68.35 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.388 -0.525 . . . . 0.0 110.634 -179.457 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 2.6 tt -61.41 -48.72 79.9 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.349 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 6.0 tmm_? -57.62 -48.31 79.79 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.541 -0.464 . . . . 0.0 110.014 -179.198 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . 0.573 ' NE2' HD21 ' A' ' 111' ' ' ASN . 85.7 t60 -61.28 -45.22 95.4 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.337 0.589 . . . . 0.0 110.308 179.617 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 61.2 t -61.6 -38.43 80.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.167 -0.924 . . . . 0.0 111.038 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' MET . . . . . 0.521 ' N ' ' SD ' ' A' ' 109' ' ' MET . 0.0 OUTLIER -76.93 -28.85 55.4 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.707 -0.679 . . . . 0.0 112.217 -179.705 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 49.5 p -102.83 -15.92 16.08 Favored 'General case' 0 C--N 1.323 -0.557 0 C-N-CA 120.339 -0.544 . . . . 0.0 111.613 -178.286 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . 0.573 HD21 ' NE2' ' A' ' 107' ' ' HIS . 59.5 t30 -111.19 -50.39 2.94 Favored 'General case' 0 N--CA 1.468 0.427 0 N-CA-C 112.71 0.633 . . . . 0.0 112.71 -178.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.416 ' O ' ' NE2' ' B' ' 47' ' ' GLN . 91.8 mt -90.23 167.23 12.85 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-O 120.74 0.305 . . . . 0.0 111.352 -179.198 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 58.61 -117.51 10.95 Favored Glycine 0 C--N 1.335 0.48 0 N-CA-C 111.482 -0.647 . . . . 0.0 111.482 178.677 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . 0.516 ' H ' ' NE2' ' B' ' 47' ' ' GLN . 6.0 mm-40 -96.9 168.49 10.46 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.26 -0.645 . . . . 0.0 109.26 178.499 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 27.0 mmtp -103.97 92.31 4.34 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.403 -179.207 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . 0.467 ' CD2' ' N ' ' A' ' 116' ' ' LEU . 3.6 mm? -79.61 150.38 31.03 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 108.406 -0.961 . . . . 0.0 108.406 178.174 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' THR . . . . . 0.479 ' OG1' ' OE1' ' A' ' 120' ' ' GLU . 19.6 p -94.96 178.65 5.49 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 120.361 -0.536 . . . . 0.0 109.564 179.402 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -60.28 -39.51 87.14 Favored 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 120.703 -0.399 . . . . 0.0 110.414 -179.791 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -62.21 -43.35 99.04 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.045 -179.812 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . 0.479 ' OE1' ' OG1' ' A' ' 117' ' ' THR . 5.7 mp0 -71.59 -44.52 64.33 Favored 'General case' 0 N--CA 1.455 -0.206 0 C-N-CA 120.666 -0.414 . . . . 0.0 111.21 179.106 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 73.5 t -65.21 -41.86 92.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.332 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -51.95 -42.7 63.07 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.568 -0.453 . . . . 0.0 110.334 -178.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 -63.31 -33.47 75.58 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.077 179.202 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 93.6 mtp -74.46 -36.93 63.35 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.042 179.326 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 1.1 mp -60.3 -42.58 91.16 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.165 0 CA-C-N 115.613 -0.721 . . . . 0.0 111.608 -179.028 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 12.4 ttt85 -60.26 -63.96 1.12 Allowed 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 120.179 -0.609 . . . . 0.0 110.309 -179.236 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . 0.442 ' CD ' ' SD ' ' A' ' 144' ' ' MET . 57.6 mt-10 -61.39 -8.39 3.97 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.879 -0.601 . . . . 0.0 111.68 -178.513 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . 0.416 ' O ' ' CB ' ' A' ' 129' ' ' ASP . . . -75.23 -71.53 0.36 Allowed 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.84 -0.344 . . . . 0.0 110.897 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . 0.478 ' CG ' ' N ' ' A' ' 130' ' ' ILE . 2.9 t70 160.97 -87.06 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.407 0 CA-C-O 121.343 0.592 . . . . 0.0 110.684 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . 0.478 ' N ' ' CG ' ' A' ' 129' ' ' ASP . 0.7 OUTLIER 34.36 40.24 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 114.859 -1.064 . . . . 0.0 111.192 -179.148 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -61.23 -38.08 85.36 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.121 -0.696 . . . . 0.0 109.121 178.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 168.17 28.72 0.02 OUTLIER Glycine 0 CA--C 1.524 0.624 0 N-CA-C 110.254 -1.138 . . . . 0.0 110.254 179.681 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -131.69 -17.98 2.81 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-O 120.551 0.215 . . . . 0.0 111.388 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 72.55 30.86 63.67 Favored Glycine 0 CA--C 1.53 0.998 0 C-N-CA 121.059 -0.591 . . . . 0.0 112.486 179.18 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . 0.414 ' O ' ' OD2' ' A' ' 129' ' ' ASP . 11.8 pt20 -128.84 148.45 50.89 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-O 121.046 0.451 . . . . 0.0 110.908 179.159 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 49.2 t -129.53 134.43 63.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.411 -0.813 . . . . 0.0 112.081 -179.326 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . 0.433 ' OD1' ' OE1' ' A' ' 139' ' ' GLU . 60.5 t30 -93.38 112.05 23.87 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 108.716 -0.846 . . . . 0.0 108.716 178.659 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . 0.444 ' CE1' ' OE2' ' A' ' 139' ' ' GLU . 38.4 p90 -66.22 -10.16 39.15 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 112.782 0.66 . . . . 0.0 112.782 -178.07 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . 0.444 ' OE2' ' CE1' ' A' ' 138' ' ' TYR . 4.9 mp0 -59.26 -51.43 69.98 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.102 -0.639 . . . . 0.0 111.005 -179.87 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 76.0 mm-40 -61.66 -40.29 94.42 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 120.827 -0.349 . . . . 0.0 110.9 -179.182 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -59.97 -45.51 92.44 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.888 -0.412 . . . . 0.0 109.888 178.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . 0.418 ' O ' ' OG1' ' A' ' 146' ' ' THR . 53.5 t -64.19 -43.74 97.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 C-N-CA 120.787 -0.365 . . . . 0.0 110.792 179.289 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -63.29 -42.58 99.08 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.569 -0.452 . . . . 0.0 109.872 179.634 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 144' ' ' MET . . . . . 0.442 ' SD ' ' CD ' ' A' ' 127' ' ' GLU . 3.2 ttp -70.37 -52.04 25.44 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.093 178.847 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 83.0 mtp -62.74 -39.74 95.03 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.144 -0.48 . . . . 0.0 112.279 -179.158 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 146' ' ' THR . . . . . 0.418 ' OG1' ' O ' ' A' ' 142' ' ' VAL . 63.4 m -69.01 -39.87 79.03 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 120.714 -0.394 . . . . 0.0 110.314 -179.459 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . 0.407 ' O ' ' O ' ' A' ' 146' ' ' THR . . . -49.99 -100.38 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.981 0.419 . . . . 0.0 110.738 -179.681 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 71.7 mmtt . . . . . 0 C--N 1.323 -0.553 0 CA-C-O 118.003 -0.999 . . . . 0.0 110.187 179.982 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 30' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 . . . . . 0 N--CA 1.49 1.544 0 N-CA-C 109.154 -0.684 . . . . 0.0 109.154 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 60.0 p30 -105.38 21.4 17.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.17 -179.441 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . 0.453 ' CG2' ' OE1' ' A' ' 104' ' ' GLU . 2.5 pt -101.04 158.85 4.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 120.845 0.355 . . . . 0.0 110.771 -179.27 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 33' ' ' ASP . . . . . 0.447 ' O ' ' OG1' ' B' ' 39' ' ' THR . 66.4 m-20 -80.01 80.14 6.46 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 179.105 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 34' ' ' MET . . . . . . . . . . . . . 78.6 mtp -65.28 -34.18 77.74 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.614 -0.721 . . . . 0.0 111.162 -178.69 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -60.96 -37.97 84.27 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.431 -179.05 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.32 120.75 54.38 Favored Pre-proline 0 CA--C 1.543 0.676 0 C-N-CA 120.719 -0.392 . . . . 0.0 110.819 -179.378 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_exo -53.21 -29.68 47.57 Favored 'Trans proline' 0 N--CA 1.5 1.892 0 C-N-CA 122.032 1.821 . . . . 0.0 112.283 178.637 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -60.31 -36.85 78.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.662 -179.486 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 39' ' ' THR . . . . . 0.447 ' OG1' ' O ' ' B' ' 33' ' ' ASP . 97.9 m -59.54 -44.51 93.2 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.666 -179.62 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -61.87 -40.65 96.12 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.744 -0.382 . . . . 0.0 110.615 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 90.1 mmt-85 -63.76 -39.69 94.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.67 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -61.38 -40.77 95.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.914 0.388 . . . . 0.0 110.517 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -62.03 -39.69 93.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.887 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 56.9 t -61.32 -46.04 97.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.527 -179.274 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -60.88 -44.44 97.08 Favored 'General case' 0 C--N 1.331 -0.218 0 C-N-CA 120.582 -0.447 . . . . 0.0 110.656 -179.429 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 81.8 mt -63.55 -48.03 88.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.095 179.527 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 47' ' ' GLN . . . . . 0.516 ' NE2' ' H ' ' A' ' 114' ' ' GLU . 75.2 mt-30 -66.08 -41.19 91.04 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.879 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 75.7 m -63.34 -43.86 96.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.925 0.393 . . . . 0.0 110.181 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 72.4 tp60 -66.51 -39.15 88.51 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.359 179.554 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 50' ' ' PHE . . . . . 0.473 ' CZ ' ' NE2' ' B' ' 54' ' ' GLN . 56.1 t80 -59.22 -47.47 85.22 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.743 -179.803 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 44.3 ttm180 -59.63 -42.13 92.03 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.635 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 62.8 mttp -61.36 -40.35 93.95 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.28 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 53' ' ' PHE . . . . . . . . . . . . . 65.9 t80 -61.13 -45.12 95.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.118 179.465 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 54' ' ' GLN . . . . . 0.473 ' NE2' ' CZ ' ' B' ' 50' ' ' PHE . 92.2 mt-30 -61.14 -40.34 93.45 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.89 -179.193 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 64.6 tttm -60.61 -44.48 96.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.814 0.34 . . . . 0.0 110.296 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 18.6 mmmt -62.53 -39.8 94.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.521 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -60.72 -44.56 96.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.447 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.52 -40.3 94.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.801 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 170.53 -167.75 40.86 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.938 -0.865 . . . . 0.0 110.938 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 1.6 t 71.81 53.95 0.2 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.738 0.304 . . . . 0.0 110.708 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 64.5 tt0 -116.35 128.0 55.15 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.303 179.717 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.219 -0.505 0 CA-C-O 118.006 -0.997 . . . . 0.0 110.555 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' MET . . . . . 0.516 ' O ' ' N ' ' A' ' 78' ' ' ASP . 66.9 ttp . . . . . 0 N--CA 1.491 1.6 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 88.0 tttt 39.87 -91.72 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.656 -179.817 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . 0.516 ' N ' ' O ' ' A' ' 76' ' ' MET . 55.6 p30 -77.58 164.76 25.07 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.871 0.367 . . . . 0.0 110.815 -179.588 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.6 t -154.76 -20.38 0.12 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.741 -179.606 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -110.53 151.67 27.31 Favored 'General case' 0 C--N 1.335 -0.034 0 CA-C-O 120.973 0.416 . . . . 0.0 110.714 -179.821 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 66.0 m -80.05 -6.02 56.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.243 179.531 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -55.5 -39.15 70.1 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 -179.615 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.421 ' CD ' ' N ' ' A' ' 84' ' ' GLU . 3.2 pp20? -64.16 -34.69 78.65 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.614 179.301 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.421 ' N ' ' CD ' ' A' ' 83' ' ' GLU . 88.5 tt0 -62.99 -45.66 91.36 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-O 121.027 0.441 . . . . 0.0 110.454 -179.792 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 4.2 mm -65.22 -39.23 84.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.642 178.729 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 80.3 ttt180 -59.35 -38.28 79.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.201 -0.909 . . . . 0.0 111.017 179.854 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -56.24 -40.0 73.43 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.122 -0.49 . . . . 0.0 109.866 -179.395 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.71 -35.56 76.62 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.765 179.228 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 64.4 m-85 -73.83 -41.01 62.91 Favored 'General case' 0 C--N 1.332 -0.194 0 C-N-CA 120.469 -0.493 . . . . 0.0 110.324 178.419 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -49.07 -26.83 2.88 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.102 -178.156 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 55.3 t -61.18 -39.66 83.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 C-N-CA 120.674 -0.41 . . . . 0.0 110.629 179.021 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 27.8 m-85 -81.98 -23.44 36.05 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.848 -0.341 . . . . 0.0 110.814 -179.801 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.434 ' OD1' ' OD1' ' A' ' 95' ' ' ASP . 62.6 t0 -90.68 78.59 6.18 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.238 179.446 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.504 ' HZ2' ' CG ' ' B' ' 31' ' ' ASP . 16.0 ptpt -75.03 -25.38 58.69 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.751 0.31 . . . . 0.0 111.784 -179.796 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . 0.434 ' OD1' ' OD1' ' A' ' 93' ' ' ASP . 12.3 p-10 -75.69 -23.97 56.22 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.669 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 67.7 29.16 73.61 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.858 -0.897 . . . . 0.0 110.858 179.797 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . 0.428 ' O ' ' OD1' ' A' ' 97' ' ' ASN . 26.8 t-20 -95.8 -1.82 48.88 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 120.921 -0.312 . . . . 0.0 110.671 -179.855 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . 0.427 ' C ' ' CD1' ' A' ' 99' ' ' TYR . . . 93.9 13.8 53.88 Favored Glycine 0 CA--C 1.53 0.979 0 C-N-CA 120.799 -0.715 . . . . 0.0 111.432 -179.795 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.433 ' CD1' ' N ' ' A' ' 99' ' ' TYR . 24.1 m-85 -138.36 157.0 47.09 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-O 121.228 0.537 . . . . 0.0 112.145 -179.641 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -131.25 144.59 37.23 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.084 0 N-CA-C 107.926 -1.138 . . . . 0.0 107.926 177.919 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 40.5 t -60.53 132.05 52.68 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.032 -0.667 . . . . 0.0 110.625 -179.468 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -64.7 -38.83 92.33 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.923 179.653 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -60.04 -40.72 90.36 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.852 -0.613 . . . . 0.0 112.028 -178.323 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -70.28 -30.05 66.97 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.511 -0.476 . . . . 0.0 110.488 -179.3 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 4.8 tt -60.97 -48.44 81.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.048 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . 0.426 ' CD ' ' C ' ' A' ' 106' ' ' ARG . 0.0 OUTLIER -56.92 -49.47 75.51 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.22 -179.71 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . 0.588 ' CD2' ' CE2' ' B' ' 30' ' ' PHE . 79.2 t60 -61.79 -46.91 87.5 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.283 0.563 . . . . 0.0 110.812 179.126 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 61.2 t -62.51 -39.57 84.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 115.497 -0.774 . . . . 0.0 111.673 -179.584 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' MET . . . . . 0.462 ' N ' ' SD ' ' A' ' 109' ' ' MET . 0.0 OUTLIER -70.16 -32.11 69.93 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.799 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 64.3 p -103.92 -14.03 16.14 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 112.235 0.457 . . . . 0.0 112.235 -178.166 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . 0.521 HD21 ' NE2' ' A' ' 107' ' ' HIS . 63.9 t30 -105.89 -28.63 10.49 Favored 'General case' 0 N--CA 1.463 0.216 0 N-CA-C 112.068 0.396 . . . . 0.0 112.068 -179.419 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 83.2 mt -118.59 -179.13 3.7 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 121.628 0.728 . . . . 0.0 111.84 -179.191 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 62.71 -122.91 29.23 Favored Glycine 0 CA--C 1.526 0.733 0 CA-C-N 114.612 -1.176 . . . . 0.0 112.145 179.108 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . 0.421 ' O ' ' O ' ' A' ' 115' ' ' LYS . 99.3 mt-10 -99.76 13.82 32.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.921 0.391 . . . . 0.0 111.054 -179.353 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.421 ' O ' ' O ' ' A' ' 114' ' ' GLU . 90.0 mttt 49.58 101.98 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.642 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . 0.535 ' CD2' ' NE2' ' B' ' 47' ' ' GLN . 4.2 mm? -91.7 156.45 17.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.239 -179.819 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 64.3 p -91.74 170.58 9.79 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.998 -0.371 . . . . 0.0 109.998 179.171 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . 0.531 ' OD1' ' N ' ' A' ' 119' ' ' GLU . 41.3 p-10 -58.44 -40.84 83.67 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.754 -0.378 . . . . 0.0 110.86 -179.793 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . 0.531 ' N ' ' OD1' ' A' ' 118' ' ' ASP . 88.6 tt0 -61.82 -42.7 99.35 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.664 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 78.3 mm-40 -69.52 -40.01 77.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.093 0.473 . . . . 0.0 110.025 178.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 76.9 t -66.73 -44.24 89.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.161 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -56.82 -46.57 81.57 Favored 'General case' 0 C--N 1.331 -0.205 0 C-N-CA 120.943 -0.303 . . . . 0.0 111.017 -178.085 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 53.6 tp10 -62.39 -37.2 84.85 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 179.076 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' MET . . . . . 0.599 ' SD ' ' CE1' ' B' ' 50' ' ' PHE . 37.0 mmm -70.78 -37.7 73.34 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.21 -0.905 . . . . 0.0 110.324 178.322 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -61.19 -37.34 77.27 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.156 0 CA-C-N 115.578 -0.737 . . . . 0.0 111.489 -177.532 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 24.6 mmm-85 -61.42 -63.16 1.37 Allowed 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 119.927 -0.709 . . . . 0.0 109.52 -179.62 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -59.68 -6.94 1.32 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.452 -178.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -76.82 -73.82 0.27 Allowed 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.681 -0.408 . . . . 0.0 110.222 179.294 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . 0.487 ' CG ' ' N ' ' A' ' 130' ' ' ILE . 10.0 t70 163.46 -93.08 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.709 0 CA-C-O 121.57 0.7 . . . . 0.0 111.102 179.075 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . 0.487 ' N ' ' CG ' ' A' ' 129' ' ' ASP . 64.6 mt 60.08 54.86 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 114.721 -1.127 . . . . 0.0 110.649 -178.67 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -82.46 65.55 7.64 Favored 'General case' 0 C--N 1.324 -0.528 0 C-N-CA 120.444 -0.502 . . . . 0.0 109.75 179.416 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 72.2 -54.62 1.48 Allowed Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.512 -1.035 . . . . 0.0 110.512 -179.6 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . 0.473 ' OD2' ' NE2' ' A' ' 135' ' ' GLN . 38.8 p30 -61.2 -32.72 72.48 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 112.606 0.595 . . . . 0.0 112.606 -178.822 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . 0.441 ' N ' ' OD1' ' A' ' 133' ' ' ASP . . . 85.23 39.83 8.25 Favored Glycine 0 CA--C 1.53 0.989 0 C-N-CA 120.114 -1.041 . . . . 0.0 112.837 178.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . 0.473 ' NE2' ' OD2' ' A' ' 133' ' ' ASP . 0.6 OUTLIER -123.54 145.23 49.03 Favored 'General case' 0 N--CA 1.466 0.342 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 177.797 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 40.4 t -124.86 134.32 67.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.835 -0.621 . . . . 0.0 112.542 -178.602 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . 0.453 ' OD1' ' O ' ' A' ' 137' ' ' ASN . 9.1 p30 -93.3 113.16 25.28 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 115.536 -0.756 . . . . 0.0 109.062 178.272 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 37.9 p90 -63.16 -6.79 4.64 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.486 -0.485 . . . . 0.0 111.962 -178.48 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -60.37 -51.05 71.17 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 119.952 -0.699 . . . . 0.0 110.7 -179.489 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 52.5 tp10 -60.37 -41.01 92.82 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-O 120.837 0.351 . . . . 0.0 110.729 -179.135 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . 0.517 ' O ' ' SD ' ' A' ' 145' ' ' MET . 3.9 m-85 -61.42 -41.05 96.56 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 120.409 -0.516 . . . . 0.0 109.799 179.187 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 52.5 t -64.07 -40.49 89.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 C-N-CA 120.533 -0.467 . . . . 0.0 110.584 178.793 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . 0.41 ' O ' ' N ' ' A' ' 147' ' ' ALA . 75.7 mt-30 -61.2 -40.4 93.8 Favored 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 178.877 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 72.7 mtp -60.46 -44.7 95.6 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 179.372 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 145' ' ' MET . . . . . 0.517 ' SD ' ' O ' ' A' ' 141' ' ' PHE . 0.0 OUTLIER -68.97 -15.8 63.57 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.187 179.808 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 73.3 p -120.99 18.5 11.72 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.785 0.326 . . . . 0.0 110.356 179.819 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . 0.41 ' N ' ' O ' ' A' ' 143' ' ' GLN . . . -141.36 52.92 1.54 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.575 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.219 -0.532 0 CA-C-O 118.013 -0.994 . . . . 0.0 110.693 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 30' ' ' PHE . . . . . 0.601 ' N ' ' CD1' ' B' ' 30' ' ' PHE . 0.1 OUTLIER . . . . . 0 N--CA 1.49 1.541 0 N-CA-C 109.163 -0.68 . . . . 0.0 109.163 . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 31' ' ' ASP . . . . . 0.504 ' CG ' ' HZ2' ' A' ' 94' ' ' LYS . 66.3 t0 -146.58 58.63 1.2 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.713 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 7.9 pt -129.79 166.56 27.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 179.49 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 33' ' ' ASP . . . . . 0.438 ' O ' ' OG1' ' B' ' 39' ' ' THR . 63.3 t0 -81.45 76.63 8.37 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 120.217 -0.593 . . . . 0.0 109.526 179.368 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 34' ' ' MET . . . . . . . . . . . . . 99.2 mtp -62.87 -37.0 85.13 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.717 -179.239 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 67.1 t0 -60.55 -38.88 85.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.854 -179.374 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -59.92 124.98 79.39 Favored Pre-proline 0 CA--C 1.541 0.627 0 C-N-CA 120.727 -0.389 . . . . 0.0 110.337 -179.709 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 76.2 Cg_exo -51.79 -27.21 26.19 Favored 'Trans proline' 0 N--CA 1.498 1.789 0 C-N-CA 121.783 1.655 . . . . 0.0 112.459 179.105 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 52.7 tp10 -59.32 -43.32 92.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.793 -178.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 39' ' ' THR . . . . . 0.438 ' OG1' ' O ' ' B' ' 33' ' ' ASP . 93.9 m -61.81 -48.24 81.5 Favored 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 120.579 -0.448 . . . . 0.0 110.975 -179.437 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -64.45 -40.73 96.28 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.622 -0.51 . . . . 0.0 109.622 179.346 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 51.6 tpt85 -61.6 -46.08 91.37 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.335 -0.848 . . . . 0.0 110.561 179.361 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -61.49 -40.29 94.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.238 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -61.55 -39.35 90.78 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.598 179.789 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 44' ' ' VAL . . . . . 0.408 ' O ' ' CB ' ' B' ' 48' ' ' SER . 52.9 t -60.43 -46.04 95.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.177 -179.34 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -61.47 -46.54 89.63 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.52 -0.472 . . . . 0.0 111.175 -179.522 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 94.9 mt -66.71 -48.08 81.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.84 0.353 . . . . 0.0 111.329 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 47' ' ' GLN . . . . . 0.535 ' NE2' ' CD2' ' A' ' 116' ' ' LEU . 14.9 mm100 -69.02 -40.47 78.65 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.937 -179.061 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 48' ' ' SER . . . . . 0.408 ' CB ' ' O ' ' B' ' 44' ' ' VAL . 47.7 t -62.95 -43.86 97.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.105 0.479 . . . . 0.0 110.185 179.449 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 10.0 tp-100 -63.51 -36.53 84.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.331 -179.869 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 50' ' ' PHE . . . . . 0.599 ' CE1' ' SD ' ' A' ' 124' ' ' MET . 43.2 t80 -57.62 -45.84 84.86 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.718 -179.823 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 45.0 ttm180 -57.58 -45.87 84.69 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 120.597 -0.441 . . . . 0.0 110.002 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 20.3 ttmm -62.2 -41.33 98.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.966 0.412 . . . . 0.0 110.146 179.175 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 53' ' ' PHE . . . . . . . . . . . . . 92.8 t80 -58.61 -46.81 86.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.414 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 98.3 mm-40 -61.42 -39.27 90.17 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.545 -179.834 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 38.8 ttpt -59.6 -45.98 90.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.606 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -63.41 -39.51 94.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.594 179.626 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -60.73 -43.44 97.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.204 -179.782 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.97 -39.6 90.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.503 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . -69.46 153.12 52.37 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 110.878 -0.889 . . . . 0.0 110.878 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 66.2 m -128.87 155.6 44.99 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.866 0.365 . . . . 0.0 110.605 -179.854 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 61' ' ' GLN . . . . . 0.463 ' OE1' ' N ' ' B' ' 61' ' ' GLN . 6.5 pm0 -138.78 152.66 48.1 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.832 -179.89 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.221 -0.447 0 CA-C-O 117.961 -1.018 . . . . 0.0 110.508 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 10.2 mmt . . . . . 0 N--CA 1.49 1.526 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 32.7 tttp 72.04 -54.25 0.68 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.457 179.823 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . 0.425 ' OD1' ' O ' ' A' ' 78' ' ' ASP . 66.2 t0 -96.56 47.57 1.07 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.634 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 66.7 p -139.93 -57.81 0.56 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.818 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.42 ' OD2' ' OE1' ' A' ' 82' ' ' GLU . 33.8 t0 -173.12 134.9 0.56 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.911 179.602 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 68.6 m -82.28 -7.22 59.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.465 179.203 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.42 ' OE1' ' OD2' ' A' ' 80' ' ' ASP . 98.2 mt-10 -56.15 -36.14 67.95 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 -179.03 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 22.8 pt-20 -66.83 -28.48 68.39 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.97 179.286 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -62.41 -46.43 88.6 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-O 120.925 0.393 . . . . 0.0 110.761 -179.079 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 1.8 mt -72.93 -28.72 27.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 121.141 0.496 . . . . 0.0 110.168 179.534 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 41.0 ttm180 -60.34 -39.41 87.03 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.905 -0.589 . . . . 0.0 109.883 179.145 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -58.89 -43.72 91.01 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 179.66 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.48 -37.9 82.53 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.957 179.779 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 37.7 m-85 -76.5 -43.28 40.24 Favored 'General case' 0 C--N 1.332 -0.175 0 C-N-CA 120.644 -0.423 . . . . 0.0 110.352 178.357 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 95.2 mtt180 -48.77 -24.42 1.41 Allowed 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.447 -178.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 53.2 t -61.77 -40.74 87.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 N-CA-C 109.938 -0.393 . . . . 0.0 109.938 178.612 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 20.2 m-85 -86.12 -25.6 25.69 Favored 'General case' 0 CA--C 1.53 0.206 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.213 -179.604 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 63.7 t0 -88.35 76.38 8.34 Favored 'General case' 0 C--N 1.332 -0.176 0 C-N-CA 120.52 -0.472 . . . . 0.0 109.822 179.248 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 3.9 ptmm? -71.05 -21.14 62.29 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.751 -179.683 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -82.74 -25.83 32.49 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.795 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 68.02 32.73 77.48 Favored Glycine 0 CA--C 1.526 0.732 0 N-CA-C 110.473 -1.051 . . . . 0.0 110.473 -179.786 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 58.5 t30 -96.26 -1.06 48.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.704 0.288 . . . . 0.0 110.775 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 94.26 6.11 61.67 Favored Glycine 0 CA--C 1.529 0.928 0 N-CA-C 111.56 -0.616 . . . . 0.0 111.56 179.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.459 ' N ' ' CD1' ' A' ' 99' ' ' TYR . 18.2 m-85 -134.77 158.99 42.73 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-O 121.204 0.526 . . . . 0.0 111.654 -179.597 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -132.44 149.67 32.51 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.155 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 178.279 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 67.0 m -60.3 131.84 52.05 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 119.685 -0.806 . . . . 0.0 109.964 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -66.81 -38.06 85.74 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.904 0.383 . . . . 0.0 111.059 179.697 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -60.63 -42.38 96.77 Favored 'General case' 0 N--CA 1.465 0.292 0 N-CA-C 112.737 0.643 . . . . 0.0 112.737 -178.109 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.4 ' O ' ' CG2' ' A' ' 108' ' ' VAL . 7.8 pt-20 -69.28 -27.15 65.16 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.318 -0.553 . . . . 0.0 110.445 -179.055 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 45.7 tp -61.5 -45.7 93.13 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 108.915 -0.772 . . . . 0.0 108.915 179.693 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 9.3 tpp180 -56.98 -50.16 73.55 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.224 -179.007 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . 0.427 ' O ' ' N ' ' A' ' 111' ' ' ASN . 80.6 t60 -62.61 -44.46 96.24 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.41 0.624 . . . . 0.0 110.358 179.61 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.4 ' CG2' ' O ' ' A' ' 104' ' ' GLU . 74.4 t -61.77 -37.33 77.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 114.98 -1.009 . . . . 0.0 112.094 -178.782 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -82.64 -22.6 34.63 Favored 'General case' 0 N--CA 1.466 0.326 0 C-N-CA 120.595 -0.442 . . . . 0.0 111.8 -178.879 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 46.4 p -103.46 -16.63 15.52 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 120.464 -0.494 . . . . 0.0 111.347 -179.089 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . 0.427 ' N ' ' O ' ' A' ' 107' ' ' HIS . 17.0 t-20 -109.93 -48.7 3.17 Favored 'General case' 0 N--CA 1.464 0.272 0 C-N-CA 120.99 -0.284 . . . . 0.0 111.761 -179.534 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 91.0 mt -95.05 174.55 7.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.312 0.577 . . . . 0.0 111.79 -179.086 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 70.23 -123.09 11.82 Favored Glycine 0 CA--C 1.527 0.799 0 CA-C-N 115.005 -0.998 . . . . 0.0 112.927 178.679 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . 0.446 ' O ' ' O ' ' A' ' 115' ' ' LYS . 99.4 mt-10 -105.08 13.43 30.82 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.878 0.37 . . . . 0.0 111.466 -179.016 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.446 ' O ' ' O ' ' A' ' 114' ' ' GLU . 52.9 mttp 50.05 103.91 0.01 OUTLIER 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.791 179.813 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . 0.447 ' CD2' ' OE1' ' B' ' 47' ' ' GLN . 4.5 mm? -91.25 158.44 16.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.788 -0.642 . . . . 0.0 109.735 179.21 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 72.6 p -92.35 170.07 10.07 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.194 -0.669 . . . . 0.0 109.194 178.572 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -59.12 -40.71 86.27 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 120.481 -0.487 . . . . 0.0 110.642 -179.308 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -63.11 -43.05 99.54 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.625 -0.43 . . . . 0.0 111.011 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -69.4 -44.07 72.17 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.88 0.371 . . . . 0.0 111.129 179.701 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 65.2 t -65.63 -42.89 93.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.753 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -54.66 -39.01 67.61 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.283 -0.567 . . . . 0.0 109.604 -178.805 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -63.33 -37.41 87.14 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.214 0.531 . . . . 0.0 109.725 178.326 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 96.4 mtp -70.49 -38.43 74.37 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.655 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 1.2 mp -59.2 -39.2 78.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.533 -179.646 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 83.9 mtp180 -67.87 -26.21 65.9 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.345 179.814 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -95.82 -3.41 45.64 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.641 179.43 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -87.97 -78.12 0.33 Allowed 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.745 -178.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . 0.471 ' CG ' ' N ' ' A' ' 130' ' ' ILE . 14.6 t0 164.45 -96.29 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.817 0 CA-C-O 121.384 0.612 . . . . 0.0 110.679 179.858 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . 0.471 ' N ' ' CG ' ' A' ' 129' ' ' ASP . 1.0 OUTLIER 60.7 57.76 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 114.985 -1.007 . . . . 0.0 110.725 -179.142 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 65.5 t0 -83.99 69.6 10.34 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 179.078 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 45.82 30.0 3.37 Favored Glycine 0 CA--C 1.527 0.797 0 N-CA-C 110.522 -1.031 . . . . 0.0 110.522 179.666 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . 0.448 ' OD1' ' O ' ' A' ' 133' ' ' ASP . 65.6 t0 -131.96 -22.45 2.32 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.702 0.287 . . . . 0.0 110.974 -179.398 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 79.17 26.79 57.12 Favored Glycine 0 CA--C 1.532 1.131 0 C-N-CA 120.914 -0.66 . . . . 0.0 112.994 178.676 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . 0.418 ' OE1' ' O ' ' A' ' 135' ' ' GLN . 0.0 OUTLIER -123.95 148.59 46.78 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-N 117.531 0.666 . . . . 0.0 110.881 179.345 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 8.2 t -133.38 135.3 56.35 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.171 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.94 -179.381 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -90.5 110.26 21.38 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.659 -0.7 . . . . 0.0 109.852 178.81 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 38.0 p90 -65.86 -13.56 59.81 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 120.816 -0.354 . . . . 0.0 111.852 -179.003 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 60.5 mp0 -58.91 -48.16 82.45 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 120.08 -0.648 . . . . 0.0 110.821 -178.46 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -62.11 -43.1 99.56 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.65 -0.42 . . . . 0.0 111.005 -179.695 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -58.77 -48.02 82.67 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.179 -0.464 . . . . 0.0 109.969 179.4 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . 0.431 ' O ' ' OG1' ' A' ' 146' ' ' THR . 55.1 t -64.12 -42.58 96.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.841 179.784 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 80.2 mm-40 -61.67 -41.05 97.02 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 108.546 -0.909 . . . . 0.0 108.546 178.504 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 2.3 ttt -66.73 -49.23 66.68 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.195 -0.911 . . . . 0.0 110.431 178.711 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 64.1 mtt -66.05 -34.91 79.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.868 179.794 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 146' ' ' THR . . . . . 0.431 ' OG1' ' O ' ' A' ' 142' ' ' VAL . 62.4 m -67.73 -39.43 84.29 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 110.041 -0.355 . . . . 0.0 110.041 -179.121 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -55.79 91.73 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.859 0.361 . . . . 0.0 110.253 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . 0.509 ' O ' ' NZ ' ' A' ' 148' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.22 -0.47 0 CA-C-O 118.042 -0.98 . . . . 0.0 110.774 -179.73 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 30' ' ' PHE . . . . . . . . . . . . . 18.9 m-85 . . . . . 0 N--CA 1.491 1.606 0 N-CA-C 109.387 -0.597 . . . . 0.0 109.387 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 96.4 m-20 58.53 34.37 23.85 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.323 0.582 . . . . 0.0 109.628 -178.792 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 83.1 mt -127.0 129.75 71.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.134 -0.939 . . . . 0.0 110.247 179.77 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -84.76 122.15 28.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.88 0.372 . . . . 0.0 110.834 -179.688 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 34' ' ' MET . . . . . . . . . . . . . 64.4 mtt -95.23 -3.91 46.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.668 179.828 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 56.1 p30 -85.74 4.52 36.38 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.952 -0.567 . . . . 0.0 109.963 179.77 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -102.46 110.05 62.01 Favored Pre-proline 0 CA--C 1.537 0.448 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.224 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 75.4 Cg_exo -50.6 -29.65 25.79 Favored 'Trans proline' 0 N--CA 1.495 1.58 0 C-N-CA 121.824 1.682 . . . . 0.0 111.926 179.475 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -60.41 -41.89 94.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.528 -179.811 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 97.1 m -61.15 -45.79 93.19 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.829 0.347 . . . . 0.0 110.396 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -62.0 -44.05 97.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.399 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 23.6 mmt85 -63.54 -40.14 96.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.352 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -61.91 -39.98 93.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.168 179.531 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -61.41 -39.89 92.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.652 179.832 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 54.6 t -61.66 -46.32 96.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.726 -179.308 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 45' ' ' ALA . . . . . 0.531 ' O ' ' NE2' ' B' ' 49' ' ' GLN . . . -61.31 -43.9 98.1 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.646 -0.421 . . . . 0.0 110.85 -179.272 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 46' ' ' ILE . . . . . 0.403 HG22 HD12 ' B' ' 46' ' ' ILE . 97.4 mt -62.65 -47.43 92.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-O 121.052 0.454 . . . . 0.0 109.813 179.839 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 47' ' ' GLN . . . . . 0.447 ' OE1' ' CD2' ' A' ' 116' ' ' LEU . 76.6 mt-30 -66.57 -39.58 88.56 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.356 179.366 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 48.2 t -60.87 -45.75 93.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.825 0.345 . . . . 0.0 110.622 -179.57 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . 0.531 ' NE2' ' O ' ' B' ' 45' ' ' ALA . 2.5 mp0 -65.24 -35.91 82.5 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.898 179.692 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 50' ' ' PHE . . . . . 0.612 ' CE2' ' NE2' ' B' ' 54' ' ' GLN . 38.8 t80 -59.03 -48.5 81.35 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.666 -0.414 . . . . 0.0 110.601 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -62.56 -40.03 95.55 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.883 -0.327 . . . . 0.0 110.57 179.722 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 64.7 tttm -61.87 -41.26 97.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.376 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 53' ' ' PHE . . . . . . . . . . . . . 61.3 t80 -59.5 -43.01 93.44 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.373 -179.649 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 54' ' ' GLN . . . . . 0.612 ' NE2' ' CE2' ' B' ' 50' ' ' PHE . 58.0 mt-30 -61.12 -40.05 92.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.726 -179.552 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 14.4 tmtt? -60.28 -45.07 94.63 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.712 -179.731 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 27.4 ttpp -60.6 -47.7 85.04 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.556 -0.457 . . . . 0.0 110.213 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 51.2 tptt -64.62 -43.34 94.04 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 109.71 -0.478 . . . . 0.0 109.71 179.759 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . 38.64 46.43 1.0 Allowed 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.918 179.768 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . -61.28 -40.78 99.08 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 111.31 -0.716 . . . . 0.0 111.31 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 48.1 t -149.63 143.19 25.37 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.83 0.348 . . . . 0.0 110.81 -179.792 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -81.06 146.79 30.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.522 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 5.1 t . . . . . 0 C--O 1.22 -0.49 0 CA-C-O 118.005 -0.998 . . . . 0.0 110.606 179.982 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 66.2 mtt . . . . . 0 N--CA 1.489 1.504 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.431 ' O ' ' C ' ' A' ' 78' ' ' ASP . 98.8 mttt -110.59 121.36 45.12 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.368 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . 0.431 ' C ' ' O ' ' A' ' 77' ' ' LYS . 68.2 t0 -31.29 126.01 0.2 Allowed 'General case' 0 N--CA 1.464 0.25 0 CA-C-O 121.243 0.544 . . . . 0.0 111.781 -178.642 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.488 ' O ' ' C ' ' A' ' 80' ' ' ASP . 92.3 m -125.32 140.15 53.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.277 -0.874 . . . . 0.0 110.079 -179.77 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.488 ' C ' ' O ' ' A' ' 79' ' ' THR . 99.2 m-20 -20.36 93.18 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.542 0 O-C-N 124.028 0.83 . . . . 0.0 112.008 -179.244 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 67.8 m -80.85 -7.28 59.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.509 -0.769 . . . . 0.0 111.043 -179.822 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -54.27 -31.17 53.06 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.268 0.556 . . . . 0.0 109.873 -179.748 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -70.37 -34.93 73.17 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.306 -0.861 . . . . 0.0 110.323 179.396 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -62.47 -47.16 85.2 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.771 -179.665 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 4.7 mm -66.62 -38.14 80.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.027 -0.533 . . . . 0.0 109.578 179.037 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.62 ' CZ ' HH21 ' A' ' 90' ' ' ARG . 75.4 ttt180 -59.71 -38.14 80.8 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.21 -0.905 . . . . 0.0 110.957 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -57.5 -40.82 79.5 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 -179.703 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -59.76 -35.79 75.33 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.676 179.571 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 60.8 m-85 -77.16 -40.42 45.53 Favored 'General case' 0 C--N 1.331 -0.196 0 C-N-CA 120.678 -0.409 . . . . 0.0 110.442 178.223 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.62 HH21 ' CZ ' ' A' ' 86' ' ' ARG . 94.1 mtt-85 -51.2 -25.11 4.95 Favored 'General case' 0 CA--C 1.52 -0.2 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.823 -178.773 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 53.8 t -61.89 -39.38 83.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.157 178.72 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 22.2 m-85 -85.0 -21.12 29.61 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.035 -179.677 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 65.2 t0 -91.24 84.73 5.68 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 178.72 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.44 -20.92 27.44 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.753 -0.379 . . . . 0.0 110.907 -179.307 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -74.67 -27.31 60.36 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.643 -0.503 . . . . 0.0 109.643 178.629 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 71.37 26.72 72.84 Favored Glycine 0 CA--C 1.526 0.749 0 N-CA-C 110.701 -0.96 . . . . 0.0 110.701 -179.699 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . 0.443 ' OD1' ' N ' ' A' ' 99' ' ' TYR . 56.2 p30 -94.14 -0.87 55.01 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 121.057 -0.257 . . . . 0.0 111.369 -179.823 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . 0.416 ' C ' ' CD1' ' A' ' 99' ' ' TYR . . . 92.93 10.78 59.59 Favored Glycine 0 CA--C 1.531 1.051 0 C-N-CA 120.947 -0.644 . . . . 0.0 111.56 179.829 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.462 ' N ' ' CD1' ' A' ' 99' ' ' TYR . 16.9 m-85 -136.87 158.54 44.22 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-O 121.208 0.527 . . . . 0.0 112.207 -179.787 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -130.63 145.56 35.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 N-CA-C 107.593 -1.262 . . . . 0.0 107.593 177.842 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 67.2 m -59.98 130.34 46.24 Favored 'General case' 0 C--N 1.323 -0.553 0 C-N-CA 119.815 -0.754 . . . . 0.0 110.179 -179.571 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -64.15 -39.35 93.83 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.077 0.465 . . . . 0.0 111.075 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -60.82 -42.02 96.86 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 113.018 0.747 . . . . 0.0 113.018 -177.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -69.85 -28.39 65.63 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 120.358 -0.537 . . . . 0.0 110.601 -178.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 3.4 tt -60.82 -47.8 84.69 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.848 -0.427 . . . . 0.0 109.848 179.596 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 8.7 tmm_? -56.59 -49.8 73.83 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.632 -0.427 . . . . 0.0 110.078 -179.481 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . 0.496 ' O ' ' N ' ' A' ' 111' ' ' ASN . 83.8 t60 -61.15 -46.35 90.88 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-O 121.332 0.587 . . . . 0.0 110.437 179.517 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 63.2 t -61.32 -39.42 82.62 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 115.113 -0.949 . . . . 0.0 110.879 -179.808 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.8 -29.25 63.12 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.953 -179.521 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 69.8 p -104.01 -14.0 16.11 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 120.67 -0.412 . . . . 0.0 111.894 -178.44 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . 0.496 ' N ' ' O ' ' A' ' 107' ' ' HIS . 61.3 t30 -107.12 -48.96 3.37 Favored 'General case' 0 N--CA 1.466 0.365 0 N-CA-C 112.39 0.515 . . . . 0.0 112.39 -179.094 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 86.5 mt -93.17 167.35 11.82 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-O 121.086 0.47 . . . . 0.0 111.987 -178.573 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 61.02 -115.01 7.25 Favored Glycine 0 CA--C 1.521 0.445 0 CA-C-N 115.705 -0.68 . . . . 0.0 111.997 178.432 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . 0.464 ' N ' ' OE1' ' B' ' 47' ' ' GLN . 99.2 mt-10 -115.9 96.26 5.5 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 179.197 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 5.2 mtpm? -37.29 116.18 0.45 Allowed 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.718 -178.24 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -86.51 156.17 20.2 Favored 'General case' 0 C--N 1.332 -0.153 0 N-CA-C 107.925 -1.139 . . . . 0.0 107.925 177.788 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 67.0 p -89.01 165.58 14.46 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.205 -0.598 . . . . 0.0 109.782 178.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . 0.449 ' OD1' ' N ' ' A' ' 118' ' ' ASP . 11.1 p-10 -58.24 -40.14 80.97 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 120.569 -0.453 . . . . 0.0 110.3 -179.875 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . 0.434 ' OE1' ' OD1' ' A' ' 118' ' ' ASP . 60.9 mp0 -62.7 -41.76 99.3 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.167 179.841 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -69.96 -43.22 72.0 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.861 179.315 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 55.7 t -63.21 -43.01 98.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 116.238 -0.437 . . . . 0.0 109.987 179.38 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -55.38 -39.43 70.12 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 120.182 -0.607 . . . . 0.0 109.744 -178.839 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 78.6 mm-40 -63.01 -38.08 89.77 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 178.304 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 96.0 mtp -70.41 -39.65 74.35 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.883 -179.707 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 1.1 mp -57.96 -39.48 72.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.469 -179.409 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 34.5 mmt180 -68.0 -27.3 66.44 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.488 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -95.69 -8.07 35.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.004 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -82.34 -73.58 0.39 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.239 -179.166 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . 0.486 ' CG ' ' N ' ' A' ' 130' ' ' ILE . 13.6 t0 159.67 -96.33 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.799 0 O-C-N 123.703 0.627 . . . . 0.0 110.267 179.815 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . 0.486 ' N ' ' CG ' ' A' ' 129' ' ' ASP . 0.8 OUTLIER 62.43 75.05 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.038 -0.983 . . . . 0.0 110.844 -179.284 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 58.4 p30 -90.86 50.24 1.77 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.544 -0.753 . . . . 0.0 109.103 179.018 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 81.36 -48.54 3.84 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.58 -1.008 . . . . 0.0 110.58 -179.567 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -59.88 -39.24 84.63 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 121.158 -0.217 . . . . 0.0 111.005 -179.198 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 98.55 41.29 3.2 Favored Glycine 0 CA--C 1.526 0.728 0 C-N-CA 120.379 -0.915 . . . . 0.0 111.889 179.578 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 20.0 pt20 -125.46 144.8 50.37 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-O 121.18 0.514 . . . . 0.0 111.096 179.575 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 27.1 t -128.83 134.01 65.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.395 -0.82 . . . . 0.0 111.833 -179.456 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . 0.457 ' OD1' ' O ' ' A' ' 137' ' ' ASN . 9.9 p30 -91.9 113.44 25.71 Favored 'General case' 0 N--CA 1.452 -0.37 0 N-CA-C 109.23 -0.656 . . . . 0.0 109.23 178.439 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 40.2 p90 -62.98 -8.63 7.62 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 112.394 0.516 . . . . 0.0 112.394 -178.305 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -59.67 -50.14 75.03 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 119.956 -0.698 . . . . 0.0 110.737 -179.329 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -60.82 -39.34 88.61 Favored 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 120.985 -0.286 . . . . 0.0 111.44 -178.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -60.79 -43.77 97.69 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 178.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 55.1 t -65.09 -46.08 92.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.219 179.108 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . 0.429 ' O ' ' CB ' ' A' ' 147' ' ' ALA . 76.5 mt-30 -63.03 -41.02 99.42 Favored 'General case' 0 CA--C 1.519 -0.243 0 N-CA-C 108.968 -0.752 . . . . 0.0 108.968 178.845 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 2.2 ttp -60.66 -47.76 84.79 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.294 -0.866 . . . . 0.0 109.234 178.15 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 9.2 mtm -72.23 -19.08 61.77 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.777 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 77.0 p -114.41 17.57 17.36 Favored 'General case' 0 N--CA 1.464 0.242 0 C-N-CA 121.195 -0.202 . . . . 0.0 111.49 -179.321 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . 0.429 ' CB ' ' O ' ' A' ' 143' ' ' GLN . . . -116.85 66.03 0.72 Allowed 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.685 -0.234 . . . . 0.0 110.648 179.606 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 10.7 tptp . . . . . 0 C--O 1.221 -0.431 0 CA-C-O 117.951 -1.023 . . . . 0.0 110.554 179.868 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 30' ' ' PHE . . . . . . . . . . . . . 47.9 m-85 . . . . . 0 N--CA 1.491 1.595 0 N-CA-C 109.532 -0.544 . . . . 0.0 109.532 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 56.48 37.12 28.55 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.373 0.606 . . . . 0.0 109.862 -179.107 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 67.7 mt -126.18 134.62 66.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.144 -0.934 . . . . 0.0 110.478 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 66.4 t0 -77.21 102.88 6.83 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 121.175 0.512 . . . . 0.0 110.518 -179.309 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 34' ' ' MET . . . . . . . . . . . . . 81.3 mmm -76.16 -30.79 58.24 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.805 -179.34 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -62.25 -41.97 98.91 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.916 -0.584 . . . . 0.0 112.163 -178.818 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.16 135.18 90.76 Favored Pre-proline 0 CA--C 1.538 0.487 0 C-N-CA 120.659 -0.416 . . . . 0.0 110.802 -178.736 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -70.71 -22.81 27.24 Favored 'Trans proline' 0 N--CA 1.492 1.417 0 C-N-CA 122.187 1.925 . . . . 0.0 112.451 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 75.4 mm-40 -62.57 -39.91 95.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.627 -179.732 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 99.8 m -61.41 -48.91 79.05 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.829 -179.712 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -65.22 -40.97 94.82 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.359 0.6 . . . . 0.0 109.401 179.177 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 24.7 tpt180 -60.59 -45.42 94.05 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.125 -0.943 . . . . 0.0 110.193 179.818 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -61.45 -39.05 89.45 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.85 -0.613 . . . . 0.0 110.344 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -60.6 -38.93 86.31 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.55 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 55.3 t -60.5 -46.35 95.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.272 -179.483 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -61.17 -46.66 89.59 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 120.502 -0.479 . . . . 0.0 110.856 -179.487 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 88.8 mt -64.54 -47.33 89.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-O 120.879 0.371 . . . . 0.0 111.071 179.581 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 47' ' ' GLN . . . . . 0.464 ' OE1' ' N ' ' A' ' 114' ' ' GLU . 76.3 mt-30 -65.85 -40.9 92.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.337 -179.707 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 48.0 t -62.45 -45.12 94.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.034 0.445 . . . . 0.0 110.562 179.832 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 94.7 mm-40 -64.3 -38.12 89.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.183 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 50' ' ' PHE . . . . . 0.626 ' CE2' ' NE2' ' B' ' 54' ' ' GLN . 53.5 t80 -58.07 -47.3 83.59 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.717 -0.393 . . . . 0.0 110.31 -179.87 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 63.4 ttm-85 -60.3 -41.24 92.99 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.227 179.522 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 65.0 tttp -60.16 -39.36 86.16 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.274 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 53' ' ' PHE . . . . . . . . . . . . . 47.8 t80 -58.56 -42.82 88.8 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.122 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 54' ' ' GLN . . . . . 0.626 ' NE2' ' CE2' ' B' ' 50' ' ' PHE . 76.3 mt-30 -62.47 -40.21 95.91 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.27 -179.717 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 21.7 mtmt -60.9 -38.18 84.8 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 120.894 -0.322 . . . . 0.0 110.952 -179.789 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 34.6 mmtm -61.28 -39.26 89.75 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 120.639 -0.424 . . . . 0.0 110.136 179.694 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 73.0 mmtt -79.96 -17.79 52.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.528 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.77 -39.62 92.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.391 -179.328 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . -59.33 123.61 33.94 Favored Glycine 0 CA--C 1.524 0.641 0 C-N-CA 120.551 -0.833 . . . . 0.0 111.051 -179.289 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 47.9 t -63.43 -44.0 95.84 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.84 0.352 . . . . 0.0 110.932 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 5.6 tt0 72.82 8.75 5.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.279 -179.351 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.22 -0.471 0 CA-C-O 117.993 -1.004 . . . . 0.0 110.541 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 13.3 mmt . . . . . 0 N--CA 1.49 1.556 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 88.2 tttt 57.53 90.16 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.646 179.318 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . 0.525 ' OD2' ' NH1' ' A' ' 86' ' ' ARG . 41.2 t0 61.77 61.41 1.43 Allowed 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.714 179.153 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 36.2 p -79.28 -145.12 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.34 179.353 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 55.11 174.36 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.187 179.403 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 89.6 p -71.79 -8.6 55.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.696 -0.683 . . . . 0.0 110.37 179.765 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -54.67 -36.61 64.79 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 -179.426 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 3.0 pp20? -67.46 -31.74 72.11 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.766 179.279 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 15.6 tm-20 -63.14 -47.1 84.18 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-O 121.138 0.494 . . . . 0.0 110.106 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 4.5 mm -67.43 -35.23 72.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.623 -0.717 . . . . 0.0 109.579 178.798 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.572 ' CZ ' ' NH2' ' A' ' 90' ' ' ARG . 56.9 ttp180 -58.06 -38.72 76.85 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.334 -0.848 . . . . 0.0 110.25 -179.875 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -58.82 -41.86 87.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.111 -0.495 . . . . 0.0 109.846 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.42 -38.21 86.29 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.515 179.169 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 35.0 m-85 -72.27 -42.74 65.24 Favored 'General case' 0 C--N 1.332 -0.164 0 C-N-CA 120.441 -0.504 . . . . 0.0 109.833 178.162 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.572 ' NH2' ' CZ ' ' A' ' 86' ' ' ARG . 93.7 mtt180 -45.94 -25.7 0.59 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.602 -178.806 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 54.1 t -61.99 -39.59 84.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 C-N-CA 120.904 -0.319 . . . . 0.0 110.507 178.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 27.5 m-85 -83.33 -25.1 31.78 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 120.763 -0.375 . . . . 0.0 110.454 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.437 ' OD1' ' N ' ' A' ' 96' ' ' GLY . 62.1 t0 -92.13 81.38 5.04 Favored 'General case' 0 C--N 1.332 -0.181 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 178.752 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 65.5 pttt -70.27 -19.4 63.11 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 112.451 0.537 . . . . 0.0 112.451 -179.115 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -92.56 -21.92 19.82 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.751 -179.781 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . 0.437 ' N ' ' OD1' ' A' ' 93' ' ' ASP . . . 68.49 36.21 83.22 Favored Glycine 0 CA--C 1.523 0.543 0 N-CA-C 109.846 -1.302 . . . . 0.0 109.846 -179.111 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 56.4 t30 -91.68 -3.18 56.6 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.687 0.279 . . . . 0.0 110.632 -179.802 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . 0.406 ' C ' ' CD1' ' A' ' 99' ' ' TYR . . . 93.73 6.98 61.86 Favored Glycine 0 CA--C 1.529 0.917 0 C-N-CA 121.187 -0.53 . . . . 0.0 111.87 179.696 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.473 ' N ' ' CD1' ' A' ' 99' ' ' TYR . 15.1 m-85 -136.97 159.76 40.91 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-O 121.005 0.431 . . . . 0.0 111.403 -179.864 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.7 pt -131.2 146.16 34.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 N-CA-C 108.438 -0.949 . . . . 0.0 108.438 178.701 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 67.6 m -65.58 100.45 0.52 Allowed 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 120.077 -0.649 . . . . 0.0 110.737 -179.494 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -40.66 -30.86 0.13 Allowed 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 112.67 0.618 . . . . 0.0 112.67 -178.102 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -61.21 -39.49 90.44 Favored 'General case' 0 C--N 1.323 -0.564 0 C-N-CA 120.529 -0.469 . . . . 0.0 111.301 -179.3 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -73.76 -30.68 62.93 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.694 -0.403 . . . . 0.0 110.861 -179.381 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 3.8 tt -60.05 -49.19 78.65 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.496 -0.482 . . . . 0.0 109.944 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 8.4 tmm_? -57.43 -50.28 73.51 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.5 -0.48 . . . . 0.0 109.978 -179.338 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . 0.539 ' ND1' ' ND2' ' A' ' 111' ' ' ASN . 73.8 t60 -60.29 -47.16 87.21 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.252 0.549 . . . . 0.0 110.847 179.367 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 66.1 t -62.13 -39.06 82.53 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 115.326 -0.852 . . . . 0.0 111.448 -179.737 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.75 -26.44 60.66 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.735 -179.238 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 52.3 p -99.49 -11.94 20.62 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 112.544 0.572 . . . . 0.0 112.544 -178.091 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . 0.539 ' ND2' ' ND1' ' A' ' 107' ' ' HIS . 68.2 m-80 -118.1 -27.09 6.19 Favored 'General case' 0 N--CA 1.47 0.567 0 N-CA-C 113.036 0.754 . . . . 0.0 113.036 -179.042 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 90.5 mt -113.5 -179.38 3.62 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-O 121.324 0.583 . . . . 0.0 111.585 -179.225 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 62.21 -123.41 31.09 Favored Glycine 0 CA--C 1.525 0.69 0 CA-C-N 115.261 -0.881 . . . . 0.0 112.448 178.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . 0.466 ' N ' ' OE1' ' B' ' 47' ' ' GLN . 80.3 mm-40 -100.26 15.77 26.52 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.457 -0.371 . . . . 0.0 110.996 -179.49 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.44 ' O ' ' O ' ' A' ' 114' ' ' GLU . 49.0 mttm 46.32 103.47 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.628 -0.715 . . . . 0.0 111.256 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -91.71 155.35 18.35 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.694 -0.685 . . . . 0.0 109.545 179.166 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 66.9 p -91.43 169.38 10.83 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.257 -0.645 . . . . 0.0 109.257 178.559 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -59.04 -39.29 81.53 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 120.493 -0.483 . . . . 0.0 110.379 -179.43 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -62.37 -44.17 97.1 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.849 -0.34 . . . . 0.0 110.663 179.698 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -67.55 -42.93 81.85 Favored 'General case' 0 C--N 1.332 -0.189 0 C-N-CA 120.804 -0.358 . . . . 0.0 110.617 179.159 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 53.2 t -63.73 -46.47 94.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.298 179.283 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 68.3 t0 -49.94 -41.48 46.39 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 120.249 -0.58 . . . . 0.0 109.529 -179.388 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . 0.537 ' OE1' ' NH2' ' A' ' 126' ' ' ARG . 53.1 tp10 -62.41 -38.7 90.69 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 178.518 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 96.2 mtp -70.51 -38.93 74.37 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.689 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 1.3 mp -60.17 -42.0 88.67 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.332 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.332 -179.029 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . 0.537 ' NH2' ' OE1' ' A' ' 123' ' ' GLU . 86.9 mtm180 -66.85 -26.12 66.75 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.873 0.368 . . . . 0.0 110.629 -179.882 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . 0.428 ' O ' ' OE2' ' A' ' 140' ' ' GLU . 80.3 mm-40 -95.93 -0.17 51.15 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.913 179.653 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . 0.462 ' O ' ' OE2' ' A' ' 140' ' ' GLU . . . -91.78 -77.26 0.43 Allowed 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 121.023 -0.271 . . . . 0.0 111.557 -179.082 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . 0.426 ' CG ' ' O ' ' A' ' 128' ' ' ALA . 1.2 m-20 168.86 -94.69 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.443 0 CA-C-O 120.919 0.39 . . . . 0.0 110.73 -179.832 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 22.3 mt 51.96 53.35 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.895 179.794 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -61.19 -39.81 91.59 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 108.54 -0.911 . . . . 0.0 108.54 178.375 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -175.71 -46.47 0.06 OUTLIER Glycine 0 CA--C 1.526 0.775 0 CA-C-N 114.872 -1.058 . . . . 0.0 111.215 179.613 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -61.54 -39.7 92.02 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 120.993 -0.283 . . . . 0.0 111.582 -179.074 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 99.21 38.86 3.66 Favored Glycine 0 CA--C 1.528 0.853 0 C-N-CA 120.614 -0.803 . . . . 0.0 111.827 179.781 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 8.7 pt20 -120.41 145.97 46.66 Favored 'General case' 0 N--CA 1.463 0.194 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 178.5 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 5.0 t -127.11 134.38 66.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 121.096 0.474 . . . . 0.0 111.95 -178.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . 0.428 ' OD1' ' O ' ' A' ' 137' ' ' ASN . 36.5 p-10 -89.56 109.51 20.45 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 108.864 -0.791 . . . . 0.0 108.864 178.31 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 29.9 p90 -64.42 -8.45 13.47 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 120.628 -0.429 . . . . 0.0 111.715 -178.542 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -59.82 -49.95 75.72 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 120.346 -0.542 . . . . 0.0 111.078 -178.836 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . 0.462 ' OE2' ' O ' ' A' ' 128' ' ' ALA . 24.2 pt-20 -62.23 -38.11 87.94 Favored 'General case' 0 N--CA 1.463 0.224 0 C-N-CA 120.438 -0.505 . . . . 0.0 110.729 -179.036 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -61.11 -42.61 98.83 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.568 -0.53 . . . . 0.0 109.568 179.153 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 56.0 t -63.23 -41.19 91.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 178.483 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . 0.519 ' O ' ' N ' ' A' ' 147' ' ' ALA . 88.0 mm-40 -61.55 -41.37 97.27 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.175 -0.676 . . . . 0.0 109.175 178.756 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 70.8 mtp -60.08 -44.46 94.75 Favored 'General case' 0 C--N 1.333 -0.116 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 179.015 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 65.3 mtt -71.52 -16.93 62.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.51 -0.768 . . . . 0.0 111.592 -179.798 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 70.7 p -122.05 13.92 10.58 Favored 'General case' 0 C--N 1.332 -0.191 0 C-N-CA 121.145 -0.222 . . . . 0.0 111.011 -179.463 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . 0.519 ' N ' ' O ' ' A' ' 143' ' ' GLN . . . -110.46 68.44 0.67 Allowed 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 109.836 -0.431 . . . . 0.0 109.836 179.077 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 9.8 tptp . . . . . 0 C--O 1.22 -0.462 0 CA-C-O 118.006 -0.997 . . . . 0.0 110.556 -179.643 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 30' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.552 0 N-CA-C 109.052 -0.721 . . . . 0.0 109.052 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 66.2 t0 -88.51 68.28 8.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.024 -179.48 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 1.6 pt -136.53 165.52 28.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 179.158 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 60.1 t0 -82.99 82.66 8.14 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 120.391 -0.524 . . . . 0.0 109.698 179.455 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 34' ' ' MET . . . . . . . . . . . . . 94.9 mmm -62.42 -39.3 92.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.702 -179.46 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 66.7 t0 -61.52 -39.65 91.78 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.584 -0.735 . . . . 0.0 111.532 -179.175 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -59.71 137.58 89.96 Favored Pre-proline 0 CA--C 1.536 0.431 0 C-N-CA 120.583 -0.447 . . . . 0.0 110.401 -179.102 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -70.14 -22.2 30.64 Favored 'Trans proline' 0 N--CA 1.493 1.464 0 C-N-CA 122.332 2.021 . . . . 0.0 112.866 -179.565 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 59.8 mp0 -62.24 -40.29 95.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.477 -179.606 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 95.2 m -62.46 -45.83 91.27 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.792 -0.363 . . . . 0.0 110.228 179.742 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -62.87 -43.06 99.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.106 179.589 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 18.7 mmm180 -63.32 -40.48 97.46 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.502 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -61.86 -40.21 94.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.09 179.71 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -61.68 -39.2 90.57 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.733 179.821 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 53.4 t -60.6 -47.22 93.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.507 -179.173 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -61.77 -45.78 92.42 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.694 -0.402 . . . . 0.0 111.234 -179.274 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 91.6 mt -63.61 -47.81 89.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-O 121.062 0.458 . . . . 0.0 110.573 179.763 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 47' ' ' GLN . . . . . 0.466 ' OE1' ' N ' ' A' ' 114' ' ' GLU . 76.6 mt-30 -66.7 -39.56 88.13 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.426 179.852 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 96.7 p -62.35 -40.76 97.47 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 120.668 -0.413 . . . . 0.0 110.529 -179.502 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 29.3 mm100 -69.23 -37.99 78.29 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.933 179.38 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 50' ' ' PHE . . . . . 0.417 ' CZ ' ' NE2' ' B' ' 54' ' ' GLN . 59.4 t80 -59.3 -49.25 78.54 Favored 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 120.762 -0.375 . . . . 0.0 110.639 -179.296 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 63.3 ttm-85 -61.3 -45.05 96.08 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 120.699 -0.4 . . . . 0.0 110.189 179.72 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -61.29 -41.21 96.57 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 179.548 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 53' ' ' PHE . . . . . . . . . . . . . 91.2 t80 -58.98 -46.19 88.72 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.106 179.678 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 54' ' ' GLN . . . . . 0.417 ' NE2' ' CZ ' ' B' ' 50' ' ' PHE . 91.4 mt-30 -61.9 -40.4 95.32 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.098 -179.798 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . 0.558 ' HZ3' ' NE2' ' B' ' 61' ' ' GLN . 19.1 mmmt -61.94 -41.92 98.51 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.774 0.321 . . . . 0.0 110.967 -179.242 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 50.6 mtpt -67.28 -34.69 77.92 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.817 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 16.9 mmmt -60.31 -40.14 89.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.43 -179.019 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.88 -45.6 93.94 Favored 'General case' 0 C--N 1.332 -0.18 0 C-N-CA 120.395 -0.522 . . . . 0.0 110.611 -179.584 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 59.05 32.36 70.85 Favored Glycine 0 CA--C 1.527 0.815 0 C-N-CA 121.145 -0.55 . . . . 0.0 111.878 178.8 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 32.1 t -141.81 34.08 1.59 Allowed 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.39 -0.524 . . . . 0.0 111.628 -179.526 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 61' ' ' GLN . . . . . 0.558 ' NE2' ' HZ3' ' B' ' 55' ' ' LYS . 97.6 mt-30 -115.85 13.35 16.04 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.947 179.457 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.22 -0.495 0 CA-C-O 118.059 -0.972 . . . . 0.0 110.552 179.795 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 26.0 ttt . . . . . 0 N--CA 1.49 1.555 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 64.6 tttm -122.17 121.45 36.9 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.061 179.806 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -132.81 170.21 15.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.537 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.489 ' O ' ' C ' ' A' ' 80' ' ' ASP . 0.2 OUTLIER -42.17 -76.26 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.295 -179.97 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.489 ' C ' ' O ' ' A' ' 79' ' ' THR . 49.9 p-10 -16.12 120.96 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.529 0 O-C-N 124.054 0.846 . . . . 0.0 112.388 -179.235 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 68.7 m -81.04 -6.46 58.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.532 -0.758 . . . . 0.0 111.255 -179.506 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 3.2 pp20? -53.98 -31.7 51.67 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.184 0.516 . . . . 0.0 110.048 -179.758 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 24.2 pt-20 -69.88 -36.14 75.22 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.186 179.316 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -62.27 -47.49 84.12 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.551 -179.763 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 4.1 mm -65.28 -39.06 84.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 121.293 0.568 . . . . 0.0 109.491 178.651 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 79.9 ttt180 -59.64 -36.81 77.11 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.051 -0.977 . . . . 0.0 110.722 179.859 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -57.02 -41.21 78.15 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.831 -0.433 . . . . 0.0 109.831 -179.467 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -59.86 -34.63 73.37 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.549 179.324 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.402 ' O ' ' N ' ' A' ' 92' ' ' PHE . 60.7 m-85 -73.63 -41.6 62.56 Favored 'General case' 0 C--N 1.332 -0.184 0 C-N-CA 120.469 -0.492 . . . . 0.0 110.194 178.074 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -43.08 -30.11 0.41 Allowed 'General case' 0 CA--C 1.52 -0.179 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.129 -179.203 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 53.1 t -61.94 -41.26 90.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.706 179.616 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.427 ' CD1' ' OE1' ' A' ' 104' ' ' GLU . 23.1 m-85 -82.52 -27.72 31.54 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.495 -0.482 . . . . 0.0 110.056 179.461 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 67.9 t0 -92.02 96.51 10.39 Favored 'General case' 0 C--N 1.333 -0.13 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 178.802 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 60.8 mttt -97.87 -17.28 19.37 Favored 'General case' 0 CA--C 1.514 -0.43 0 CA-C-O 121.096 0.474 . . . . 0.0 110.1 -179.261 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 74.1 m-20 -80.49 -26.95 37.9 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.49 -0.777 . . . . 0.0 109.306 179.023 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 69.66 30.79 70.56 Favored Glycine 0 CA--C 1.523 0.536 0 N-CA-C 110.327 -1.109 . . . . 0.0 110.327 -179.663 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -94.86 -1.35 52.88 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 121.109 -0.236 . . . . 0.0 110.723 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . 0.415 ' C ' ' CD1' ' A' ' 99' ' ' TYR . . . 93.64 10.37 59.14 Favored Glycine 0 CA--C 1.529 0.91 0 C-N-CA 120.918 -0.658 . . . . 0.0 111.652 179.823 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.447 ' CD1' ' N ' ' A' ' 99' ' ' TYR . 17.8 m-85 -137.01 158.22 44.95 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-O 121.205 0.526 . . . . 0.0 112.239 -179.497 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -130.41 146.38 34.13 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.093 0 N-CA-C 107.42 -1.326 . . . . 0.0 107.42 177.335 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 43.6 t -59.12 131.04 49.85 Favored 'General case' 0 C--N 1.323 -0.572 0 C-N-CA 119.685 -0.806 . . . . 0.0 109.986 -179.562 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -63.64 -36.9 85.36 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.126 0.488 . . . . 0.0 110.607 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -59.52 -41.98 91.22 Favored 'General case' 0 CA--C 1.535 0.388 0 N-CA-C 112.772 0.656 . . . . 0.0 112.772 -178.012 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.427 ' OE1' ' CD1' ' A' ' 92' ' ' PHE . 0.7 OUTLIER -66.48 -28.66 68.75 Favored 'General case' 0 N--CA 1.465 0.299 0 C-N-CA 120.261 -0.576 . . . . 0.0 110.686 -179.289 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 1.8 tt -61.9 -48.58 79.81 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.064 -179.729 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 14.5 tpt180 -55.9 -51.08 68.88 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.421 -179.812 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . 0.632 ' NE2' HD21 ' A' ' 111' ' ' ASN . 81.3 t60 -64.63 -47.72 77.5 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.18 0.514 . . . . 0.0 111.637 179.551 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 53.1 t -62.45 -39.19 83.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.717 -0.674 . . . . 0.0 112.815 -178.707 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.11 -29.56 65.41 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 120.681 -0.408 . . . . 0.0 111.608 -179.378 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 57.2 p -105.55 -13.2 15.68 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 112.474 0.546 . . . . 0.0 112.474 -178.092 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . 0.632 HD21 ' NE2' ' A' ' 107' ' ' HIS . 65.0 t30 -104.15 -38.23 7.0 Favored 'General case' 0 N--CA 1.464 0.261 0 N-CA-C 112.051 0.389 . . . . 0.0 112.051 -179.348 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 84.5 mt -111.21 -178.69 3.52 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.194 0.521 . . . . 0.0 111.476 -179.128 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 64.27 -123.37 27.57 Favored Glycine 0 CA--C 1.525 0.673 0 CA-C-N 115.322 -0.854 . . . . 0.0 112.679 178.836 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . 0.46 ' N ' ' OE1' ' B' ' 47' ' ' GLN . 98.6 mt-10 -100.92 12.81 36.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.009 0.433 . . . . 0.0 111.196 -179.046 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.427 ' O ' ' O ' ' A' ' 114' ' ' GLU . 92.7 mttt 48.99 103.31 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.641 -0.708 . . . . 0.0 111.023 179.795 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -92.79 157.73 16.26 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.096 179.821 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 69.2 p -91.53 169.87 10.4 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 109.697 -0.483 . . . . 0.0 109.697 178.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -59.56 -39.99 85.84 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.754 -0.378 . . . . 0.0 110.583 -179.565 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 53.2 tp10 -62.27 -43.25 99.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.34 179.818 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . 0.4 ' OE1' ' NE2' ' B' ' 54' ' ' GLN . 77.6 mm-40 -67.94 -41.41 82.56 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.002 0.429 . . . . 0.0 110.302 179.134 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 71.2 t -66.07 -44.04 92.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.569 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 68.1 t0 -57.59 -42.76 83.83 Favored 'General case' 0 C--N 1.323 -0.548 0 C-N-CA 120.226 -0.59 . . . . 0.0 109.949 -178.714 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 53.7 tp10 -62.05 -39.53 92.69 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 178.847 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' MET . . . . . 0.615 ' SD ' ' CD1' ' B' ' 50' ' ' PHE . 47.4 mmm -64.87 -39.46 93.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.053 179.099 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -61.87 -40.49 87.28 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.148 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.055 -179.275 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 12.6 tpt180 -60.98 -30.1 70.07 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.043 0.449 . . . . 0.0 109.811 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 -96.4 -1.8 46.87 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.402 179.094 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . 0.438 ' O ' ' OD1' ' A' ' 129' ' ' ASP . . . -90.42 -78.75 0.37 Allowed 'General case' 0 CA--C 1.531 0.223 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.178 -179.299 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . 0.519 ' OD2' ' ND2' ' A' ' 137' ' ' ASN . 3.7 m-20 166.59 -92.67 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.505 0 CA-C-O 120.872 0.367 . . . . 0.0 111.849 179.77 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . 0.477 ' CG2' ' O ' ' A' ' 130' ' ' ILE . 96.1 mt 58.71 55.74 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.268 -177.688 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 65.5 t0 -82.92 68.2 9.31 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 179.287 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 43.72 28.81 1.18 Allowed Glycine 0 CA--C 1.523 0.577 0 N-CA-C 110.263 -1.135 . . . . 0.0 110.263 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -127.65 -20.46 3.94 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.575 0.226 . . . . 0.0 111.464 -179.39 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 76.2 23.68 70.66 Favored Glycine 0 CA--C 1.529 0.91 0 C-N-CA 120.861 -0.685 . . . . 0.0 112.245 179.446 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 16.1 pt20 -125.41 149.51 48.11 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-O 121.178 0.513 . . . . 0.0 110.868 179.535 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 25.4 t -132.49 134.65 58.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 115.368 -0.833 . . . . 0.0 111.995 -179.097 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . 0.519 ' ND2' ' OD2' ' A' ' 129' ' ' ASP . 8.9 p30 -91.08 111.18 22.54 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.694 -0.685 . . . . 0.0 109.525 178.731 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 39.0 p90 -63.23 -8.7 8.86 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.568 -0.453 . . . . 0.0 111.583 -178.703 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 74.0 mm-40 -59.89 -49.83 76.14 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 120.156 -0.618 . . . . 0.0 110.978 -179.346 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 75.7 mm-40 -61.05 -39.37 89.58 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 120.709 0.29 . . . . 0.0 111.384 -179.102 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -63.03 -42.83 99.86 Favored 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 120.488 -0.485 . . . . 0.0 110.201 179.156 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . 0.413 ' O ' ' N ' ' A' ' 146' ' ' THR . 55.1 t -64.14 -39.2 84.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.599 179.021 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . 0.445 ' O ' ' N ' ' A' ' 147' ' ' ALA . 28.8 mm100 -59.89 -43.07 95.01 Favored 'General case' 0 C--N 1.331 -0.201 0 C-N-CA 120.234 -0.587 . . . . 0.0 109.587 179.714 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 73.3 mtm -61.27 -42.71 99.11 Favored 'General case' 0 C--N 1.333 -0.122 0 C-N-CA 119.979 -0.688 . . . . 0.0 109.158 178.748 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 56.3 mtt -73.82 -20.49 60.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.597 -0.729 . . . . 0.0 111.441 -179.859 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 146' ' ' THR . . . . . 0.413 ' N ' ' O ' ' A' ' 142' ' ' VAL . 2.1 m -111.44 9.14 21.39 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.967 -179.468 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . 0.445 ' N ' ' O ' ' A' ' 143' ' ' GLN . . . -107.36 76.62 1.09 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.45 179.793 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 2.8 mmtp . . . . . 0 C--O 1.22 -0.469 0 CA-C-O 118.038 -0.982 . . . . 0.0 110.482 -179.995 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 30' ' ' PHE . . . . . 0.612 ' CE2' ' CD2' ' A' ' 107' ' ' HIS . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.563 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 40.9 t0 -67.53 6.1 0.68 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.297 0.57 . . . . 0.0 109.558 179.055 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . 0.558 ' N ' ' CD1' ' B' ' 32' ' ' ILE . 1.9 mp -77.69 126.93 38.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.213 -0.903 . . . . 0.0 110.59 -179.737 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 33' ' ' ASP . . . . . 0.503 ' N ' ' OD1' ' B' ' 33' ' ' ASP . 13.7 p-10 -79.92 136.96 36.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.762 -179.858 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 34' ' ' MET . . . . . . . . . . . . . 15.3 mmt -102.64 -15.8 16.24 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.361 179.641 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -62.45 -39.77 94.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.565 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -67.06 131.55 93.73 Favored Pre-proline 0 CA--C 1.537 0.466 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.27 -179.826 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -70.92 -21.49 28.03 Favored 'Trans proline' 0 N--CA 1.493 1.442 0 C-N-CA 121.978 1.786 . . . . 0.0 112.691 -179.762 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -62.57 -40.31 96.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.926 -179.512 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 96.7 m -62.4 -45.15 94.42 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.548 -179.75 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -61.88 -43.53 98.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.154 179.802 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 18.2 mmm180 -63.4 -40.52 97.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.65 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -61.92 -40.75 96.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.584 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -61.86 -39.48 92.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.661 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 53.5 t -61.47 -45.17 99.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.473 -179.464 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -60.83 -46.98 88.42 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.627 -0.429 . . . . 0.0 111.032 -179.279 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 92.1 mt -67.32 -47.68 80.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 C-N-CA 120.82 -0.352 . . . . 0.0 111.166 179.811 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 47' ' ' GLN . . . . . 0.46 ' OE1' ' N ' ' A' ' 114' ' ' GLU . 77.1 mt-30 -65.52 -41.14 93.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.985 -179.741 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 48.2 t -62.4 -44.21 97.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.101 0.477 . . . . 0.0 110.061 179.537 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 72.2 tp60 -63.38 -38.34 90.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.501 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 50' ' ' PHE . . . . . 0.615 ' CD1' ' SD ' ' A' ' 124' ' ' MET . 44.9 t80 -58.71 -48.05 82.47 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.374 -179.173 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 83.2 mtp180 -61.24 -41.0 96.13 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.356 -0.538 . . . . 0.0 110.306 -179.747 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 65.2 tttp -62.14 -41.57 98.4 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 179.122 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 53' ' ' PHE . . . . . . . . . . . . . 90.2 t80 -59.34 -45.88 90.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.608 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 54' ' ' GLN . . . . . 0.4 ' NE2' ' OE1' ' A' ' 120' ' ' GLU . 87.5 mt-30 -61.29 -39.42 90.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.759 -179.396 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -61.02 -39.51 90.02 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.799 -0.361 . . . . 0.0 110.356 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 25.6 mmtp -62.1 -39.76 93.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.192 179.778 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 26.8 tptp -61.11 -43.16 99.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.165 179.822 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -80.7 8.21 8.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.694 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 59' ' ' GLY . . . . . 0.4 ' O ' ' CB ' ' B' ' 60' ' ' SER . . . -59.5 -39.38 94.86 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 110.835 -0.906 . . . . 0.0 110.835 -179.738 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 60' ' ' SER . . . . . 0.4 ' CB ' ' O ' ' B' ' 59' ' ' GLY . 1.5 t 76.58 79.91 0.09 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.213 0.53 . . . . 0.0 110.777 179.827 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 64.2 tt0 -61.54 -41.1 96.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.492 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 44.1 t . . . . . 0 C--O 1.22 -0.466 0 CA-C-O 117.996 -1.002 . . . . 0.0 110.553 179.979 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 17.6 mtm . . . . . 0 N--CA 1.49 1.557 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.15 154.97 41.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.655 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 53.5 p30 -83.69 -176.78 6.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.007 -179.721 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 7.7 t -56.68 128.08 34.64 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.535 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 68.3 t0 -105.8 110.03 22.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.768 -179.713 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 90.7 p -72.43 -8.71 56.47 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.445 179.654 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -53.25 -38.28 62.85 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 -179.582 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 22.1 pt-20 -64.0 -34.61 78.39 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.6 179.505 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -62.13 -47.9 82.54 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-O 120.916 0.388 . . . . 0.0 110.647 -179.374 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 4.3 mm -65.28 -38.39 82.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.042 -0.526 . . . . 0.0 109.827 179.045 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 42.1 ttm180 -59.3 -38.38 80.1 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.448 -0.796 . . . . 0.0 111.001 179.684 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 53.6 tp10 -56.64 -39.16 73.21 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 -179.625 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.54 -36.49 78.55 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.712 179.496 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 71.9 m-85 -75.88 -40.26 54.88 Favored 'General case' 0 C--N 1.332 -0.19 0 C-N-CA 120.686 -0.406 . . . . 0.0 110.69 178.625 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -49.31 -27.86 4.3 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.659 -178.318 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 55.1 t -61.41 -39.59 83.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 C-N-CA 121.063 -0.255 . . . . 0.0 110.782 179.102 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 28.8 m-85 -85.5 -22.47 28.17 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.649 -0.421 . . . . 0.0 111.079 -179.577 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 63.9 t0 -89.03 74.69 8.08 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 179.264 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 64.2 pttt -71.39 -28.21 63.87 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.925 0.393 . . . . 0.0 111.476 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -72.42 -25.84 61.63 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.83 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 69.36 27.16 73.89 Favored Glycine 0 CA--C 1.526 0.747 0 N-CA-C 110.625 -0.99 . . . . 0.0 110.625 -179.798 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -92.52 -3.01 55.78 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.677 0.275 . . . . 0.0 110.889 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 97.24 -5.67 63.17 Favored Glycine 0 CA--C 1.528 0.873 0 N-CA-C 111.433 -0.667 . . . . 0.0 111.433 -179.83 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.501 ' CD1' ' N ' ' A' ' 99' ' ' TYR . 12.8 m-85 -122.34 160.41 25.43 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.103 0.478 . . . . 0.0 111.378 -178.63 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -131.67 145.9 34.33 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 N-CA-C 108.079 -1.082 . . . . 0.0 108.079 178.527 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 68.8 m -57.52 130.02 44.44 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 120.028 -0.669 . . . . 0.0 110.448 -179.342 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -63.33 -39.72 95.34 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.118 0.485 . . . . 0.0 110.769 179.778 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -57.44 -42.93 83.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.683 -0.69 . . . . 0.0 109.734 -178.843 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 -60.03 -39.24 85.22 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.073 179.111 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 13.2 tp -59.58 -47.86 83.93 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.671 0.272 . . . . 0.0 110.456 -178.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . 0.518 ' NH2' ' OD1' ' A' ' 118' ' ' ASP . 44.9 tpt85 -57.05 -49.5 75.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.562 -0.29 . . . . 0.0 110.534 -179.367 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . 0.584 ' NE2' ' ND2' ' A' ' 111' ' ' ASN . 85.7 t60 -63.11 -49.12 75.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.105 0.479 . . . . 0.0 111.602 179.538 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 50.8 t -62.16 -38.63 81.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.691 -0.686 . . . . 0.0 112.658 -179.06 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' MET . . . . . 0.405 ' N ' ' SD ' ' A' ' 109' ' ' MET . 0.0 OUTLIER -68.97 -32.67 72.43 Favored 'General case' 0 C--N 1.321 -0.634 0 C-N-CA 120.723 -0.391 . . . . 0.0 111.377 -179.657 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' THR . . . . . 0.413 ' CG2' ' NH1' ' A' ' 106' ' ' ARG . 41.0 p -106.24 -12.06 15.84 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 112.648 0.61 . . . . 0.0 112.648 -177.799 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . 0.584 ' ND2' ' NE2' ' A' ' 107' ' ' HIS . 65.5 t30 -103.88 -33.65 8.79 Favored 'General case' 0 N--CA 1.466 0.342 0 C-N-CA 120.701 -0.399 . . . . 0.0 112.051 -179.564 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 84.2 mt -116.97 -177.76 3.28 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.403 0.621 . . . . 0.0 111.512 -178.795 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 62.45 -127.17 39.25 Favored Glycine 0 CA--C 1.526 0.721 0 CA-C-N 114.983 -1.008 . . . . 0.0 112.571 178.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . 0.485 ' N ' ' OE1' ' B' ' 47' ' ' GLN . 80.5 mm-40 -92.89 9.33 35.88 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.996 0.427 . . . . 0.0 111.22 -178.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 10.8 mmmt 52.39 100.09 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.452 179.549 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -90.93 156.36 18.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.28 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 67.6 p -92.66 171.01 9.28 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.8 -0.445 . . . . 0.0 109.8 178.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . 0.518 ' OD1' ' NH2' ' A' ' 106' ' ' ARG . 98.5 m-20 -60.28 -40.16 89.43 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 120.604 -0.438 . . . . 0.0 110.262 -179.866 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -61.4 -43.16 99.34 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.669 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -69.35 -45.0 70.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.955 0.407 . . . . 0.0 110.728 179.406 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 82.8 t -64.85 -42.83 95.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.48 -179.444 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -49.79 -41.36 44.29 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 120.313 -0.555 . . . . 0.0 110.395 -177.721 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 78.9 mm-40 -66.55 -31.42 72.12 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.22 0.533 . . . . 0.0 109.78 178.686 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 94.6 mtp -76.06 -30.31 58.33 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.084 179.489 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -61.2 -41.6 90.16 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.149 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.965 -179.35 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 20.8 mmm-85 -61.79 -63.58 1.22 Allowed 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.228 -0.589 . . . . 0.0 110.142 -179.519 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . 0.436 ' O ' ' OE2' ' A' ' 140' ' ' GLU . 79.9 mm-40 -60.07 -6.96 1.56 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.434 -178.644 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . 0.423 ' O ' ' OE2' ' A' ' 140' ' ' GLU . . . -77.9 -75.66 0.21 Allowed 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.834 -0.347 . . . . 0.0 110.887 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . 0.464 ' CG ' ' N ' ' A' ' 130' ' ' ILE . 2.4 t70 162.91 -85.05 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.35 0 CA-C-O 121.425 0.631 . . . . 0.0 110.616 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . 0.464 ' N ' ' CG ' ' A' ' 129' ' ' ASP . 0.5 OUTLIER 36.52 42.71 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 114.956 -1.02 . . . . 0.0 110.982 -179.056 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -60.86 -39.41 89.03 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 179.088 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . 0.42 ' O ' ' OD1' ' A' ' 133' ' ' ASP . . . 165.67 31.56 0.02 OUTLIER Glycine 0 CA--C 1.522 0.517 0 N-CA-C 110.578 -1.009 . . . . 0.0 110.578 179.798 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . 0.42 ' OD1' ' O ' ' A' ' 132' ' ' GLY . 97.3 m-20 -136.28 -10.81 1.94 Allowed 'General case' 0 CA--C 1.53 0.179 0 C-N-CA 120.92 -0.312 . . . . 0.0 111.238 179.633 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 70.8 32.88 66.51 Favored Glycine 0 CA--C 1.528 0.863 0 C-N-CA 120.985 -0.626 . . . . 0.0 112.476 179.185 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . 0.42 ' O ' ' OD2' ' A' ' 129' ' ' ASP . 1.0 OUTLIER -128.72 151.0 50.03 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 121.353 0.597 . . . . 0.0 111.288 179.59 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 27.3 t -132.45 134.06 59.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.187 -0.915 . . . . 0.0 111.949 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -91.99 110.94 22.31 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 108.645 -0.872 . . . . 0.0 108.645 178.663 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 33.2 p90 -65.0 -10.11 26.95 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 112.659 0.614 . . . . 0.0 112.659 -178.182 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -60.86 -50.5 73.19 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 119.984 -0.686 . . . . 0.0 111.793 -178.654 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . 0.436 ' OE2' ' O ' ' A' ' 127' ' ' GLU . 20.9 pt-20 -63.52 -36.91 85.35 Favored 'General case' 0 N--CA 1.465 0.286 0 C-N-CA 120.616 -0.434 . . . . 0.0 111.187 -178.904 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -62.1 -47.08 86.21 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 178.583 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . 0.429 ' O ' ' OG1' ' A' ' 146' ' ' THR . 59.4 t -62.97 -43.88 99.32 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.796 179.537 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -62.13 -40.95 97.64 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 108.442 -0.947 . . . . 0.0 108.442 178.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 2.0 ttp -63.75 -48.25 77.73 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.106 -0.952 . . . . 0.0 109.551 178.13 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 62.4 mtt -70.0 -28.68 65.71 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.424 179.794 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 146' ' ' THR . . . . . 0.429 ' OG1' ' O ' ' A' ' 142' ' ' VAL . 3.7 m -95.15 23.57 5.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.957 0.408 . . . . 0.0 110.109 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . 0.467 ' O ' ' CB ' ' A' ' 148' ' ' LYS . . . -140.21 173.73 11.22 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.126 -179.798 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . 0.467 ' CB ' ' O ' ' A' ' 147' ' ' ALA . 9.6 tptp . . . . . 0 C--O 1.22 -0.46 0 CA-C-O 118.023 -0.989 . . . . 0.0 110.518 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 30' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 . . . . . 0 N--CA 1.49 1.533 0 N-CA-C 109.268 -0.641 . . . . 0.0 109.268 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 67.5 m-20 59.02 32.65 22.45 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 121.198 0.523 . . . . 0.0 109.612 -178.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 59.2 mt -127.67 125.01 64.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.327 -0.851 . . . . 0.0 110.413 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -71.94 138.21 47.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.88 0.372 . . . . 0.0 111.125 -179.819 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 34' ' ' MET . . . . . . . . . . . . . 25.5 mmt -97.67 -2.03 42.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.176 179.184 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -90.44 1.22 56.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.107 -179.237 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -92.35 112.09 53.64 Favored Pre-proline 0 CA--C 1.539 0.53 0 CA-C-N 116.548 -0.297 . . . . 0.0 110.669 -179.665 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_exo -52.26 -35.12 62.57 Favored 'Trans proline' 0 N--CA 1.497 1.718 0 C-N-CA 121.778 1.652 . . . . 0.0 112.197 179.288 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 78.8 mm-40 -61.23 -40.21 93.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.455 -179.366 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 97.2 m -61.82 -46.44 89.47 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.77 -0.372 . . . . 0.0 110.262 179.792 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -64.49 -40.44 95.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.529 179.627 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 30.9 mmt180 -63.57 -39.93 95.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.548 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -61.48 -40.66 95.34 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.263 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -61.95 -40.45 95.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.737 179.787 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 57.8 t -61.4 -47.75 91.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.338 -179.381 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 45' ' ' ALA . . . . . 0.455 ' O ' ' OE1' ' B' ' 49' ' ' GLN . . . -62.38 -45.1 94.69 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.775 -0.37 . . . . 0.0 111.063 -179.531 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 93.8 mt -63.06 -46.96 94.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-O 120.924 0.392 . . . . 0.0 110.498 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 47' ' ' GLN . . . . . 0.485 ' OE1' ' N ' ' A' ' 114' ' ' GLU . 76.7 mt-30 -65.76 -37.96 87.76 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.835 -0.62 . . . . 0.0 111.387 179.492 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 48' ' ' SER . . . . . 0.52 ' OG ' ' NZ ' ' B' ' 52' ' ' LYS . 48.4 t -59.53 -45.95 90.28 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.769 -0.373 . . . . 0.0 110.642 -179.291 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . 0.455 ' OE1' ' O ' ' B' ' 45' ' ' ALA . 7.3 mp0 -64.96 -36.15 83.48 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.785 -0.366 . . . . 0.0 111.068 179.488 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 59.3 t80 -59.06 -47.8 83.93 Favored 'General case' 0 C--N 1.332 -0.159 0 C-N-CA 120.481 -0.488 . . . . 0.0 110.085 179.808 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 51' ' ' ARG . . . . . 0.409 ' HE ' ' HZ1' ' B' ' 55' ' ' LYS . 82.0 mtp180 -62.17 -40.45 96.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.929 0.395 . . . . 0.0 110.273 179.645 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 52' ' ' LYS . . . . . 0.52 ' NZ ' ' OG ' ' B' ' 48' ' ' SER . 62.7 mttp -63.98 -38.52 91.37 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.953 179.55 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 53' ' ' PHE . . . . . . . . . . . . . 68.1 t80 -59.31 -49.02 79.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.297 -178.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 17.9 pt20 -71.35 -38.14 71.62 Favored 'General case' 0 C--N 1.331 -0.212 0 C-N-CA 120.613 -0.435 . . . . 0.0 111.546 -179.445 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . 0.409 ' HZ1' ' HE ' ' B' ' 51' ' ' ARG . 62.1 mttp -63.89 -40.1 95.73 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 120.642 -0.423 . . . . 0.0 110.838 179.415 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 61.6 mmtt -62.72 -39.8 95.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.27 179.703 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 64.5 tttm -61.03 -43.92 98.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.242 179.751 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -102.01 55.64 0.8 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.603 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . -60.88 -40.05 97.76 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 110.696 -0.962 . . . . 0.0 110.696 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 74.3 m -62.06 -39.64 93.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.744 0.307 . . . . 0.0 110.341 179.806 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 49.6 tt0 60.66 89.92 0.07 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.585 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 73.5 p . . . . . 0 C--O 1.22 -0.469 0 CA-C-O 118.032 -0.985 . . . . 0.0 110.523 179.975 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 63.7 tpp . . . . . 0 N--CA 1.491 1.599 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 58.6 mtpt -131.57 -124.64 0.2 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.602 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 59.0 p30 -97.88 13.74 29.59 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.557 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 57.6 p -47.62 109.08 0.19 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.883 0.373 . . . . 0.0 110.224 -179.739 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.419 ' O ' ' CG ' ' A' ' 83' ' ' GLU . 97.8 m-20 -113.65 154.94 26.41 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.952 -179.644 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 70.9 m -82.51 -5.84 58.96 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.724 179.422 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.475 ' CD ' ' N ' ' A' ' 83' ' ' GLU . 3.2 pp20? -58.45 -35.2 71.78 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 120.271 -0.572 . . . . 0.0 109.831 179.892 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.475 ' N ' ' CD ' ' A' ' 82' ' ' GLU . 0.5 OUTLIER -68.3 -36.28 79.09 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.51 179.198 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -62.51 -41.37 98.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.081 0.467 . . . . 0.0 109.94 179.515 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 38.5 mm -64.81 -42.42 94.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.381 179.278 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -59.88 -36.05 76.12 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.143 -179.648 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -55.87 -40.29 72.74 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.4 -36.87 81.5 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.568 178.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 68.8 m-85 -75.75 -42.78 49.48 Favored 'General case' 0 C--O 1.231 0.118 0 C-N-CA 120.567 -0.453 . . . . 0.0 110.529 178.683 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -48.21 -24.27 1.11 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.5 -178.62 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 55.3 t -62.34 -39.46 84.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-O 120.709 0.29 . . . . 0.0 110.466 178.588 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 27.0 m-85 -87.68 -26.54 22.94 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.367 -0.378 . . . . 0.0 110.874 -179.695 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 45.4 t0 -88.71 71.4 8.75 Favored 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 179.254 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 26.4 pttm -71.1 -20.13 62.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.857 0.361 . . . . 0.0 111.738 -179.695 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -80.0 -26.55 39.85 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.502 179.77 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 69.14 29.42 72.18 Favored Glycine 0 CA--C 1.526 0.742 0 N-CA-C 110.642 -0.983 . . . . 0.0 110.642 -179.806 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . 0.423 ' OD1' ' N ' ' A' ' 99' ' ' TYR . 54.8 p30 -94.71 -0.51 54.25 Favored 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 120.972 -0.291 . . . . 0.0 110.663 179.571 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 92.94 8.55 61.71 Favored Glycine 0 CA--C 1.529 0.939 0 C-N-CA 121.129 -0.558 . . . . 0.0 111.866 179.627 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.457 ' N ' ' CD1' ' A' ' 99' ' ' TYR . 16.9 m-85 -136.22 158.16 45.08 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-O 121.076 0.465 . . . . 0.0 111.5 -179.841 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -131.34 146.49 33.64 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.111 0 N-CA-C 108.031 -1.1 . . . . 0.0 108.031 178.168 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 36.2 t -59.06 130.29 46.27 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 119.794 -0.763 . . . . 0.0 110.158 -179.761 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -64.06 -38.4 90.94 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.918 0.39 . . . . 0.0 110.951 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -60.34 -41.57 93.89 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.092 -0.504 . . . . 0.0 112.283 -178.403 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -69.08 -31.02 69.46 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.455 -0.498 . . . . 0.0 110.522 -179.16 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 4.1 tt -61.32 -49.23 77.83 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.2 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . 0.406 ' CD ' ' C ' ' A' ' 106' ' ' ARG . 0.0 OUTLIER -57.13 -51.03 70.93 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 120.611 -0.435 . . . . 0.0 110.255 -179.77 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . 0.511 ' CE1' ' ND2' ' A' ' 111' ' ' ASN . 78.1 t60 -59.54 -46.57 88.5 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.25 0.547 . . . . 0.0 110.419 179.279 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 58.0 t -62.77 -39.37 84.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 115.396 -0.82 . . . . 0.0 111.313 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.74 -29.67 64.78 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.901 -0.591 . . . . 0.0 111.804 -179.64 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 64.1 p -104.88 -15.61 15.12 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 112.275 0.472 . . . . 0.0 112.275 -178.392 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . 0.511 ' ND2' ' CE1' ' A' ' 107' ' ' HIS . 60.0 t30 -106.16 -26.51 11.55 Favored 'General case' 0 N--CA 1.465 0.291 0 N-CA-C 112.29 0.478 . . . . 0.0 112.29 -178.9 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 77.6 mt -121.86 -178.26 3.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.395 0.617 . . . . 0.0 111.67 -178.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 61.7 -123.66 32.37 Favored Glycine 0 CA--C 1.524 0.614 0 CA-C-N 114.897 -1.047 . . . . 0.0 112.381 178.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . 0.5 ' N ' ' OE1' ' B' ' 47' ' ' GLN . 79.6 mm-40 -97.15 12.32 33.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.813 0.339 . . . . 0.0 111.23 -179.106 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.457 ' O ' ' O ' ' A' ' 114' ' ' GLU . 51.3 mttp 47.58 104.1 0.0 OUTLIER 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.749 -0.659 . . . . 0.0 111.043 179.544 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -92.57 156.14 17.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.245 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 69.9 p -91.7 170.4 9.94 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 109.835 -0.432 . . . . 0.0 109.835 179.292 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -59.04 -41.5 88.0 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.747 -0.381 . . . . 0.0 110.763 -179.072 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -63.14 -42.58 99.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.577 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 76.3 mm-40 -67.09 -39.64 86.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.279 0.561 . . . . 0.0 109.727 178.658 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 51.6 t -61.06 -44.69 98.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.182 -0.917 . . . . 0.0 110.765 179.659 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -57.96 -42.14 84.33 Favored 'General case' 0 C--N 1.32 -0.685 0 C-N-CA 120.319 -0.552 . . . . 0.0 109.804 -179.467 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -63.11 -40.07 96.54 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 178.689 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' MET . . . . . 0.601 ' SD ' ' CD1' ' B' ' 50' ' ' PHE . 36.5 mmm -65.34 -41.15 94.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.055 -0.975 . . . . 0.0 110.702 -179.882 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -68.13 -34.87 69.06 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.155 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.658 -179.717 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 61.6 ttp180 -60.34 -33.77 72.89 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.067 0.461 . . . . 0.0 110.355 179.866 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 -96.42 -3.49 43.42 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.0 179.448 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . 0.404 ' O ' ' CG ' ' A' ' 129' ' ' ASP . . . -86.3 -75.61 0.38 Allowed 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 112.048 0.388 . . . . 0.0 112.048 -178.607 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . 0.404 ' CG ' ' O ' ' A' ' 128' ' ' ALA . 1.0 OUTLIER 168.97 -90.26 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.442 0 CA-C-O 121.128 0.489 . . . . 0.0 112.267 -179.818 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . 0.481 ' CG2' ' O ' ' A' ' 130' ' ' ILE . 68.9 mt 38.43 43.64 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.929 -177.843 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 68.3 t0 -59.47 -43.53 93.21 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 108.344 -0.984 . . . . 0.0 108.344 178.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 168.28 25.34 0.02 OUTLIER Glycine 0 CA--C 1.521 0.46 0 N-CA-C 110.114 -1.194 . . . . 0.0 110.114 179.607 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 67.1 m-20 -117.13 -23.83 7.77 Favored 'General case' 0 C--O 1.231 0.108 0 N-CA-C 111.797 0.295 . . . . 0.0 111.797 -179.755 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 82.88 14.53 75.07 Favored Glycine 0 CA--C 1.529 0.953 0 C-N-CA 120.711 -0.757 . . . . 0.0 111.995 179.589 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 12.0 pt20 -125.68 151.47 46.53 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-O 121.119 0.485 . . . . 0.0 110.633 179.249 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 43.9 t -128.12 134.46 65.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.455 -0.793 . . . . 0.0 111.84 -178.809 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . 0.44 ' OD1' ' O ' ' A' ' 137' ' ' ASN . 37.6 p-10 -93.08 110.71 22.19 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.574 178.491 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 37.8 p90 -60.96 -7.6 2.56 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.79 -0.364 . . . . 0.0 111.813 -178.783 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -59.94 -49.64 76.88 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 120.028 -0.669 . . . . 0.0 110.581 -179.28 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -60.55 -42.09 95.85 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 121.01 -0.276 . . . . 0.0 111.057 -179.229 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -59.63 -47.69 84.6 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 179.122 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 54.3 t -62.93 -44.43 99.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.099 179.424 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -61.86 -40.34 95.0 Favored 'General case' 0 N--CA 1.454 -0.238 0 N-CA-C 108.315 -0.995 . . . . 0.0 108.315 178.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 5.9 ttp -62.01 -47.9 82.7 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 114.813 -1.085 . . . . 0.0 109.701 178.132 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 64.9 mtt -70.55 -22.77 62.56 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 112.002 0.371 . . . . 0.0 112.002 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 76.3 p -101.15 22.31 12.55 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 121.0 -0.28 . . . . 0.0 110.741 -179.395 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -106.68 68.58 0.75 Allowed 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 178.877 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 4.6 tmtp? . . . . . 0 C--O 1.219 -0.521 0 CA-C-O 118.053 -0.975 . . . . 0.0 110.457 -179.332 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 30' ' ' PHE . . . . . 0.468 ' CD1' ' N ' ' B' ' 30' ' ' PHE . 0.6 OUTLIER . . . . . 0 N--CA 1.49 1.534 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -92.62 1.61 57.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.367 179.82 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 1.5 pt -61.59 170.86 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.39 -179.446 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 65.5 m-20 -85.95 83.71 7.72 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 178.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 34' ' ' MET . . . . . 0.423 ' CE ' ' HE2' ' A' ' 107' ' ' HIS . 95.3 mtp -67.14 -27.78 67.59 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.829 -179.303 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 55.5 p30 -73.87 0.53 13.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.215 -179.775 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -90.35 113.7 58.44 Favored Pre-proline 0 CA--C 1.539 0.542 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.193 179.704 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 80.0 Cg_exo -50.54 -32.65 35.82 Favored 'Trans proline' 0 N--CA 1.498 1.772 0 C-N-CA 121.9 1.733 . . . . 0.0 112.305 179.289 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -60.87 -39.17 88.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.818 -179.424 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 93.9 m -61.9 -43.81 98.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.849 0.357 . . . . 0.0 110.388 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -61.98 -40.26 95.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.652 -179.61 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 31.7 mmt180 -63.2 -39.88 95.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.798 0.332 . . . . 0.0 110.28 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -61.87 -39.86 93.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.219 179.58 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -61.02 -39.58 90.31 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.624 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 57.5 t -61.34 -46.6 96.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.488 -179.381 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -61.36 -45.78 92.98 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.597 -0.441 . . . . 0.0 110.978 -179.417 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 92.2 mt -64.09 -47.42 90.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.853 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 47' ' ' GLN . . . . . 0.5 ' OE1' ' N ' ' A' ' 114' ' ' GLU . 77.3 mt-30 -66.24 -39.1 89.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.355 179.85 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 74.5 m -61.24 -42.28 98.34 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.863 -0.335 . . . . 0.0 110.6 -179.635 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 96.8 mm-40 -64.71 -39.18 93.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.464 179.604 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 50' ' ' PHE . . . . . 0.601 ' CD1' ' SD ' ' A' ' 124' ' ' MET . 47.3 t80 -58.97 -47.37 85.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.639 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 89.1 mtm180 -60.94 -40.3 92.75 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.587 -0.445 . . . . 0.0 110.042 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 62.9 mttp -65.32 -39.2 92.16 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.929 179.626 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 53' ' ' PHE . . . . . . . . . . . . . 71.8 t80 -60.28 -49.44 77.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.662 -178.818 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 18.8 pt20 -68.3 -28.14 66.92 Favored 'General case' 0 C--N 1.332 -0.192 0 C-N-CA 120.751 -0.38 . . . . 0.0 111.099 -179.532 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 17.6 mmmt -62.52 -38.85 91.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.901 0.382 . . . . 0.0 110.198 179.149 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -59.66 -44.66 93.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.59 179.806 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 20.9 tptm -61.11 -42.31 98.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 109.82 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.17 -39.85 91.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.444 179.811 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 81.23 -170.19 52.3 Favored Glycine 0 CA--C 1.526 0.733 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 60' ' ' SER . . . . . 0.409 ' O ' ' N ' ' B' ' 62' ' ' SER . 40.8 t -125.52 133.6 52.3 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.855 0.36 . . . . 0.0 110.498 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 1.3 tp-100 43.81 23.65 0.06 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.438 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 62' ' ' SER . . . . . 0.409 ' N ' ' O ' ' B' ' 60' ' ' SER . 30.2 t . . . . . 0 C--O 1.22 -0.494 0 CA-C-O 118.037 -0.982 . . . . 0.0 110.59 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 83.7 mmm . . . . . 0 N--CA 1.49 1.545 0 N-CA-C 109.182 -0.673 . . . . 0.0 109.182 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.462 ' O ' ' N ' ' A' ' 79' ' ' THR . 64.5 mttp -86.17 126.53 34.31 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.7 -179.867 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . 0.517 ' OD1' ' N ' ' A' ' 78' ' ' ASP . 11.5 p-10 -45.62 92.78 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.885 -179.606 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.462 ' N ' ' O ' ' A' ' 77' ' ' LYS . 67.0 p -123.77 -32.46 3.3 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.133 179.116 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.465 ' O ' ' OD1' ' A' ' 80' ' ' ASP . 58.7 p30 -108.87 136.47 48.36 Favored 'General case' 0 CA--C 1.529 0.167 0 CA-C-O 121.221 0.534 . . . . 0.0 111.543 -179.461 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 67.5 m -83.64 -6.29 59.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.434 179.344 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -56.58 -39.25 73.21 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.368 -0.604 . . . . 0.0 109.368 -179.527 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.407 ' CG ' ' N ' ' A' ' 84' ' ' GLU . 22.8 pt-20 -64.47 -38.14 89.98 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.559 179.508 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.407 ' N ' ' CG ' ' A' ' 83' ' ' GLU . 98.0 mt-10 -62.9 -46.29 88.53 Favored 'General case' 0 C--O 1.232 0.143 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.436 -179.226 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 4.2 mm -67.77 -39.01 81.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 178.662 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 41.8 ttm180 -59.56 -37.53 78.7 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.076 -0.965 . . . . 0.0 110.434 179.288 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -56.27 -39.88 73.35 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.634 -179.645 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -59.44 -32.74 70.49 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.539 179.344 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.437 ' O ' ' OD1' ' A' ' 93' ' ' ASP . 84.4 m-85 -79.73 -38.92 32.27 Favored 'General case' 0 CA--C 1.53 0.18 0 C-N-CA 120.656 -0.418 . . . . 0.0 110.064 178.144 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -53.86 -25.73 21.19 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.715 -178.671 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 54.9 t -60.43 -38.35 77.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 178.41 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 10.0 m-85 -88.88 -24.19 22.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.305 179.762 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.534 ' N ' ' OD1' ' A' ' 93' ' ' ASP . 0.0 OUTLIER -86.36 75.08 9.86 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-O 121.335 0.588 . . . . 0.0 110.174 179.921 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 19.5 mtpt -92.29 -18.81 22.87 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 59.8 t0 -70.54 -28.45 64.93 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.499 -0.773 . . . . 0.0 109.489 178.828 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 72.29 18.8 78.37 Favored Glycine 0 CA--C 1.526 0.758 0 CA-C-N 115.63 -0.714 . . . . 0.0 111.329 179.385 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 52.1 p-10 -90.65 -3.87 57.2 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.701 -0.4 . . . . 0.0 111.384 -179.788 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 95.42 -6.64 68.36 Favored Glycine 0 CA--C 1.53 0.998 0 N-CA-C 111.489 -0.644 . . . . 0.0 111.489 179.79 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.469 ' CD1' ' N ' ' A' ' 99' ' ' TYR . 12.0 m-85 -123.5 161.24 25.28 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.05 0.452 . . . . 0.0 111.366 -178.663 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -128.22 141.48 46.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 N-CA-C 107.584 -1.265 . . . . 0.0 107.584 177.889 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 70.8 m -60.08 135.65 57.78 Favored 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 119.807 -0.757 . . . . 0.0 110.034 -179.386 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -63.6 -36.79 84.97 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.081 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -60.13 -41.65 93.12 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 112.281 0.475 . . . . 0.0 112.281 -178.519 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.435 ' O ' ' CG2' ' A' ' 108' ' ' VAL . 4.7 pt-20 -68.21 -32.16 72.17 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.351 -0.54 . . . . 0.0 110.333 -179.34 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 2.7 tt -61.8 -47.86 83.23 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.634 -0.506 . . . . 0.0 109.634 179.356 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 29.3 tpt85 -55.79 -50.59 70.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.212 -179.137 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . 0.631 ' NE2' HD21 ' A' ' 111' ' ' ASN . 82.7 t60 -63.28 -46.48 86.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.296 0.569 . . . . 0.0 110.882 179.08 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.435 ' CG2' ' O ' ' A' ' 104' ' ' GLU . 63.9 t -62.13 -41.75 92.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 115.178 -0.919 . . . . 0.0 111.884 -179.105 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.49 -28.29 62.8 Favored 'General case' 0 N--CA 1.465 0.322 0 N-CA-C 111.843 0.312 . . . . 0.0 111.843 -179.339 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 58.4 p -104.47 -16.25 15.13 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 120.679 -0.409 . . . . 0.0 111.97 -178.621 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . 0.631 HD21 ' NE2' ' A' ' 107' ' ' HIS . 57.6 t30 -108.75 -48.72 3.26 Favored 'General case' 0 N--CA 1.466 0.355 0 N-CA-C 112.642 0.608 . . . . 0.0 112.642 -178.736 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.473 ' O ' ' O ' ' A' ' 113' ' ' GLY . 89.1 mt -92.98 139.29 30.68 Favored 'General case' 0 N--CA 1.465 0.325 0 N-CA-C 111.883 0.327 . . . . 0.0 111.883 -178.555 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . 0.566 ' O ' ' C ' ' A' ' 114' ' ' GLU . . . 57.23 125.34 0.01 OUTLIER Glycine 0 C--N 1.335 0.492 0 N-CA-C 111.352 -0.699 . . . . 0.0 111.352 178.653 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . 0.566 ' C ' ' O ' ' A' ' 113' ' ' GLY . 2.9 tt0 10.23 94.49 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.583 0 O-C-N 124.129 0.547 . . . . 0.0 110.836 179.729 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 62.6 mttp -53.77 136.83 39.33 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.695 -176.761 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -90.74 157.86 17.19 Favored 'General case' 0 CA--C 1.529 0.142 0 CA-C-N 115.657 -0.701 . . . . 0.0 109.125 178.75 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 72.7 p -92.28 169.45 10.58 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 120.785 -0.366 . . . . 0.0 110.112 179.396 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 68.3 t0 -57.69 -42.82 84.41 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.93 -0.308 . . . . 0.0 110.834 -179.255 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 -62.39 -41.55 98.73 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.781 -0.368 . . . . 0.0 110.566 -179.767 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -69.82 -40.25 76.02 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.1 178.78 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 55.3 t -64.06 -45.61 96.13 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.254 0 CA-C-O 120.99 0.424 . . . . 0.0 110.66 178.752 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . 0.525 ' OD1' ' NH1' ' A' ' 126' ' ' ARG . 68.5 t0 -55.9 -43.18 77.03 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 120.354 -0.538 . . . . 0.0 110.288 -178.873 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 53.7 tp10 -62.06 -38.27 88.13 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.191 -0.67 . . . . 0.0 109.191 178.64 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' MET . . . . . 0.51 ' SD ' ' CE1' ' B' ' 50' ' ' PHE . 50.7 mmm -68.89 -39.06 79.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.931 179.492 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 1.2 mp -63.77 -37.42 79.65 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.222 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.019 -179.315 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . 0.525 ' NH1' ' OD1' ' A' ' 122' ' ' ASP . 82.1 mtt85 -66.0 -27.22 67.97 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.936 0.398 . . . . 0.0 110.576 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 -96.35 -6.14 38.33 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.2 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . 0.448 ' O ' ' CB ' ' A' ' 129' ' ' ASP . . . -84.99 -73.27 0.44 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.3 -179.073 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . 0.448 ' CB ' ' O ' ' A' ' 128' ' ' ALA . 1.5 m-20 161.89 -97.05 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.628 0 CA-C-O 120.824 0.345 . . . . 0.0 111.018 179.555 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . 0.579 ' C ' ' H ' ' A' ' 132' ' ' GLY . 73.8 mt 60.43 -115.48 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.16 -178.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . 0.528 ' N ' ' CG2' ' A' ' 130' ' ' ILE . 7.9 t0 74.14 -25.03 0.2 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.622 -178.43 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . 0.579 ' H ' ' C ' ' A' ' 130' ' ' ILE . . . 171.57 -66.54 0.14 Allowed Glycine 0 CA--C 1.526 0.764 0 N-CA-C 111.482 -0.647 . . . . 0.0 111.482 179.716 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . 0.517 ' OD1' ' N ' ' A' ' 134' ' ' GLY . 56.8 p30 -50.44 -28.96 9.2 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 112.069 0.396 . . . . 0.0 112.069 -177.933 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . 0.517 ' N ' ' OD1' ' A' ' 133' ' ' ASP . . . 71.76 31.42 64.95 Favored Glycine 0 CA--C 1.532 1.1 0 C-N-CA 120.91 -0.662 . . . . 0.0 113.542 178.109 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -119.29 149.98 40.89 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 117.466 0.633 . . . . 0.0 109.645 178.291 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 45.3 t -131.89 135.05 59.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 121.138 0.494 . . . . 0.0 111.945 -179.261 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -95.24 110.18 22.2 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.602 -0.727 . . . . 0.0 109.491 178.498 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 45.9 p90 -59.88 -11.27 5.14 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 120.606 -0.437 . . . . 0.0 111.598 -178.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -59.68 -50.04 75.4 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 119.705 -0.798 . . . . 0.0 109.956 -179.41 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -59.6 -41.69 90.9 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 120.913 -0.315 . . . . 0.0 110.636 -179.334 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . 0.536 ' O ' ' SD ' ' A' ' 145' ' ' MET . 3.6 m-85 -62.1 -41.52 98.29 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.323 -0.551 . . . . 0.0 109.884 178.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 53.3 t -63.35 -40.64 89.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 C-N-CA 120.333 -0.547 . . . . 0.0 110.129 178.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . 0.478 ' O ' ' N ' ' A' ' 147' ' ' ALA . 86.5 mm-40 -60.79 -40.91 94.39 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 109.146 -0.687 . . . . 0.0 109.146 179.213 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 144' ' ' MET . . . . . 0.465 ' O ' ' CE1' ' B' ' 53' ' ' PHE . 71.7 mtp -60.62 -45.72 92.95 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.479 179.408 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 145' ' ' MET . . . . . 0.536 ' SD ' ' O ' ' A' ' 141' ' ' PHE . 0.0 OUTLIER -73.86 -14.02 61.01 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.954 -0.567 . . . . 0.0 111.33 -179.857 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 73.5 p -120.29 16.47 12.27 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.742 0.306 . . . . 0.0 110.25 179.526 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . 0.478 ' N ' ' O ' ' A' ' 143' ' ' GLN . . . -108.48 71.94 0.81 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.118 -0.492 . . . . 0.0 109.851 179.235 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 1.3 mmtp . . . . . 0 C--O 1.22 -0.448 0 CA-C-O 117.984 -1.008 . . . . 0.0 110.437 -179.636 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 30' ' ' PHE . . . . . 0.542 ' N ' ' CD1' ' B' ' 30' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.596 0 N-CA-C 109.165 -0.679 . . . . 0.0 109.165 . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 65.7 t0 -88.15 72.65 9.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.835 -179.701 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 2.7 pt -135.95 162.49 36.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 N-CA-C 109.877 -0.416 . . . . 0.0 109.877 179.643 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -79.42 82.45 5.55 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 179.14 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 34' ' ' MET . . . . . . . . . . . . . 82.0 mtp -70.97 -17.28 62.67 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.821 -178.858 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 55.2 p30 -83.19 2.27 36.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.61 -179.201 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -101.73 148.31 35.09 Favored Pre-proline 0 CA--C 1.532 0.286 0 C-N-CA 120.764 -0.375 . . . . 0.0 110.442 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -68.7 -27.84 31.52 Favored 'Trans proline' 0 N--CA 1.492 1.423 0 C-N-CA 122.422 2.081 . . . . 0.0 112.599 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -63.16 -40.9 98.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.842 -179.756 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 97.3 m -62.44 -49.43 75.46 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.16 -179.441 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -66.52 -42.97 86.47 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.27 0.557 . . . . 0.0 109.727 179.292 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 29.1 tpt180 -61.51 -44.47 97.02 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.223 -0.899 . . . . 0.0 110.514 179.709 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -60.83 -40.13 91.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.412 -179.831 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -61.36 -41.77 97.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.281 179.779 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 59.4 t -63.15 -43.89 99.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.317 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -60.62 -46.31 90.77 Favored 'General case' 0 N--CA 1.463 0.211 0 C-N-CA 120.705 -0.398 . . . . 0.0 111.175 -179.054 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 91.4 mt -64.49 -46.3 93.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-O 121.154 0.502 . . . . 0.0 110.101 179.267 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 47' ' ' GLN . . . . . 0.453 ' OE1' ' O ' ' A' ' 113' ' ' GLY . 81.7 mt-30 -64.52 -41.25 96.51 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.422 -0.808 . . . . 0.0 111.544 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 75.1 m -61.9 -43.8 98.11 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.784 -0.366 . . . . 0.0 110.333 -179.411 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 8.2 tp-100 -67.48 -38.23 84.06 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 179.349 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 50' ' ' PHE . . . . . 0.51 ' CE1' ' SD ' ' A' ' 124' ' ' MET . 40.6 t80 -59.05 -48.03 83.06 Favored 'General case' 0 C--N 1.333 -0.114 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.128 -179.724 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 44.1 ttm180 -59.56 -45.24 92.41 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 120.618 -0.433 . . . . 0.0 110.358 -179.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 64.8 tttm -62.02 -40.45 95.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.055 0.455 . . . . 0.0 109.923 179.356 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 53' ' ' PHE . . . . . 0.465 ' CE1' ' O ' ' A' ' 144' ' ' MET . 86.5 t80 -58.8 -44.04 90.66 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.611 -179.869 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 54' ' ' GLN . . . . . 0.474 ' NE2' ' CZ ' ' B' ' 50' ' ' PHE . 91.4 mt-30 -59.99 -40.28 88.62 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.82 -179.119 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 62.5 mttp -62.17 -39.85 94.05 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.799 -0.36 . . . . 0.0 110.674 179.802 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 35.9 mmtm -62.53 -39.41 93.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.488 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 39.9 ttmt -60.74 -43.14 98.3 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.126 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.21 -39.89 91.94 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.424 179.833 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 59' ' ' GLY . . . . . 0.427 ' O ' ' O ' ' B' ' 60' ' ' SER . . . 94.13 -58.8 2.04 Favored Glycine 0 CA--C 1.525 0.656 0 N-CA-C 111.109 -0.797 . . . . 0.0 111.109 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 60' ' ' SER . . . . . 0.427 ' O ' ' O ' ' B' ' 59' ' ' GLY . 17.3 p 51.36 175.04 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.771 0.319 . . . . 0.0 110.526 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 61' ' ' GLN . . . . . 0.47 ' CD ' ' N ' ' B' ' 61' ' ' GLN . 3.3 mp0 -82.5 145.69 29.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.468 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 53.2 m . . . . . 0 C--O 1.22 -0.466 0 CA-C-O 117.994 -1.003 . . . . 0.0 110.587 179.983 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 65.9 mtt . . . . . 0 N--CA 1.49 1.546 0 N-CA-C 109.449 -0.574 . . . . 0.0 109.449 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 63.0 mttp -62.23 -39.56 93.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.566 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . 0.522 ' O ' ' N ' ' A' ' 80' ' ' ASP . 96.5 m-20 -95.09 -39.14 10.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.096 179.465 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.477 ' O ' ' C ' ' A' ' 80' ' ' ASP . 1.8 m 62.89 -69.91 0.06 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.594 -179.876 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.522 ' N ' ' O ' ' A' ' 78' ' ' ASP . 99.6 m-20 -19.35 113.62 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.475 0 O-C-N 124.052 0.845 . . . . 0.0 111.995 -178.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 66.1 m -80.88 -5.76 57.77 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.278 -0.874 . . . . 0.0 110.76 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 15.8 tm-20 -56.9 -38.84 73.38 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.249 -0.649 . . . . 0.0 109.249 179.744 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.413 ' OE2' ' OE2' ' A' ' 84' ' ' GLU . 1.2 pp20? -67.61 -35.26 78.61 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.728 179.283 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.413 ' OE2' ' OE2' ' A' ' 83' ' ' GLU . 79.8 mm-40 -63.92 -44.8 91.82 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-O 120.913 0.387 . . . . 0.0 110.795 -179.735 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 4.2 mm -68.13 -38.63 80.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 121.282 0.563 . . . . 0.0 109.741 178.826 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 80.1 ttt180 -60.35 -38.55 84.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.204 -0.907 . . . . 0.0 110.533 179.592 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -57.54 -38.58 74.97 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.788 -0.642 . . . . 0.0 109.967 -179.655 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -59.97 -34.45 73.31 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.526 179.428 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 74.4 m-85 -75.12 -39.86 60.25 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.359 -0.536 . . . . 0.0 110.344 178.239 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 1.2 mpt_? -44.5 -30.44 0.88 Allowed 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.484 -179.402 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 52.5 t -60.98 -39.7 83.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.975 179.679 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 16.4 m-85 -87.53 -26.58 23.09 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 120.768 -0.373 . . . . 0.0 110.525 -179.698 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.446 ' OD1' ' O ' ' A' ' 99' ' ' TYR . 38.6 t70 -89.99 68.99 7.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.309 -0.405 . . . . 0.0 109.926 179.053 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 26.5 pttm -76.99 -20.11 56.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.014 0.435 . . . . 0.0 111.153 179.612 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . 0.526 ' OD2' ' ND2' ' A' ' 97' ' ' ASN . 51.4 t0 -73.72 -28.65 61.82 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.333 179.648 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 73.87 21.77 78.86 Favored Glycine 0 CA--C 1.528 0.878 0 N-CA-C 111.265 -0.734 . . . . 0.0 111.265 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . 0.526 ' ND2' ' OD2' ' A' ' 95' ' ' ASP . 98.6 m-20 -91.46 -4.25 55.77 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 120.833 -0.347 . . . . 0.0 111.313 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . 0.429 ' C ' ' CD1' ' A' ' 99' ' ' TYR . . . 93.36 11.59 58.22 Favored Glycine 0 CA--C 1.532 1.152 0 C-N-CA 120.805 -0.712 . . . . 0.0 111.479 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.446 ' O ' ' OD1' ' A' ' 93' ' ' ASP . 18.9 m-85 -136.9 157.59 46.39 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-O 121.159 0.504 . . . . 0.0 112.163 -179.722 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -129.07 142.01 45.14 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 177.657 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 67.9 m -58.87 130.4 46.77 Favored 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 119.87 -0.732 . . . . 0.0 110.043 -179.372 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -63.26 -38.24 90.39 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.976 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -60.05 -40.26 88.82 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.656 0.613 . . . . 0.0 112.656 -178.152 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -70.38 -28.6 65.22 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.59 -0.444 . . . . 0.0 110.674 -179.057 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 3.4 tt -60.53 -48.64 80.89 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . 0.445 ' CZ ' ' CG1' ' A' ' 121' ' ' VAL . 7.9 tpp180 -55.16 -51.59 66.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.251 -0.431 . . . . 0.0 109.922 179.84 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 79.3 t60 -61.11 -47.59 85.59 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.111 0.481 . . . . 0.0 111.237 179.637 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 53.8 t -61.38 -40.84 87.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 115.607 -0.724 . . . . 0.0 112.119 -179.082 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.62 -29.15 64.34 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.23 -0.441 . . . . 0.0 112.075 -179.171 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 41.5 p -102.96 -11.43 18.2 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 112.37 0.507 . . . . 0.0 112.37 -177.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 24.0 t-20 -111.02 -49.18 3.04 Favored 'General case' 0 N--CA 1.467 0.376 0 N-CA-C 112.237 0.458 . . . . 0.0 112.237 -178.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 92.5 mt -92.83 163.47 13.7 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-O 121.214 0.53 . . . . 0.0 112.143 -178.693 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 63.61 -116.5 9.33 Favored Glycine 0 CA--C 1.523 0.542 0 CA-C-N 115.307 -0.86 . . . . 0.0 111.713 179.016 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . 0.522 ' O ' ' NE2' ' B' ' 47' ' ' GLN . 78.8 mm-40 -113.23 93.14 4.27 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.433 -0.58 . . . . 0.0 109.433 179.122 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 62.5 mttp -35.06 116.95 0.37 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.119 -0.491 . . . . 0.0 112.036 -178.022 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . 0.427 ' CD2' HE21 ' B' ' 47' ' ' GLN . 3.8 mm? -88.9 155.98 19.19 Favored 'General case' 0 N--CA 1.462 0.161 0 N-CA-C 108.687 -0.857 . . . . 0.0 108.687 178.36 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 59.4 p -88.96 165.64 14.44 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.829 -0.434 . . . . 0.0 109.829 178.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -59.8 -39.89 86.5 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 120.583 -0.447 . . . . 0.0 110.143 -179.665 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -61.89 -41.23 97.65 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.092 179.853 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -70.42 -43.67 69.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.98 178.736 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . 0.445 ' CG1' ' CZ ' ' A' ' 106' ' ' ARG . 79.2 t -65.48 -44.44 94.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.621 179.841 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -54.59 -39.17 67.55 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 120.049 -0.66 . . . . 0.0 109.234 -178.83 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -62.86 -38.21 89.92 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.801 -0.636 . . . . 0.0 109.342 178.07 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 97.0 mtp -69.9 -39.32 76.3 Favored 'General case' 0 C--O 1.231 0.131 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.663 179.622 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 1.2 mp -59.73 -37.79 72.84 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.137 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.571 -179.447 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -67.73 -26.66 66.25 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.527 179.648 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -96.11 -10.82 27.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.868 179.702 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . 0.446 ' O ' ' CB ' ' A' ' 129' ' ' ASP . . . -79.69 -70.98 0.47 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.406 -179.122 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . 0.446 ' CB ' ' O ' ' A' ' 128' ' ' ALA . 1.2 m-20 163.11 -93.67 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.559 0 CA-C-O 121.002 0.43 . . . . 0.0 111.377 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . 0.474 ' CG2' ' O ' ' A' ' 130' ' ' ILE . 76.7 mt 49.64 51.03 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.404 -178.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -60.93 -41.86 97.02 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 179.155 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -168.48 -51.25 0.03 OUTLIER Glycine 0 CA--C 1.524 0.627 0 CA-C-N 115.171 -0.922 . . . . 0.0 111.195 179.704 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -60.74 -39.23 87.91 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 111.788 0.292 . . . . 0.0 111.788 -178.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 98.49 40.44 3.43 Favored Glycine 0 CA--C 1.525 0.664 0 C-N-CA 120.335 -0.936 . . . . 0.0 111.227 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -123.21 148.93 45.3 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 109.788 -0.449 . . . . 0.0 109.788 179.113 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 38.5 t -127.39 133.37 68.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.896 -179.096 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . 0.445 ' OD1' ' O ' ' A' ' 137' ' ' ASN . 43.3 p-10 -92.2 112.56 24.54 Favored 'General case' 0 N--CA 1.451 -0.407 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 178.489 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 38.9 p90 -62.63 -8.88 7.31 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 112.08 0.4 . . . . 0.0 112.08 -178.478 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 15.7 tm-20 -60.03 -50.97 71.64 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 119.882 -0.727 . . . . 0.0 110.784 -179.315 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -61.46 -40.33 94.12 Favored 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 120.732 -0.387 . . . . 0.0 110.857 -179.117 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -60.75 -46.8 89.03 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.519 -0.473 . . . . 0.0 109.87 178.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 53.6 t -63.12 -44.58 99.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 C-N-CA 120.703 -0.399 . . . . 0.0 110.468 179.384 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 10.7 tp-100 -61.53 -42.15 98.39 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 108.8 -0.815 . . . . 0.0 108.8 178.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 2.1 ttp -63.41 -48.73 76.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.394 -0.821 . . . . 0.0 109.537 178.041 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 10.5 tpp -61.16 -26.77 67.93 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.844 -179.558 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 77.2 p -112.84 22.82 14.08 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.608 -178.69 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -128.51 51.58 1.99 Allowed 'General case' 0 N--CA 1.463 0.19 0 CA-C-O 120.625 0.25 . . . . 0.0 110.613 179.46 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . 0.521 ' C ' ' HZ2' ' B' ' 56' ' ' LYS . 9.3 mmtt . . . . . 0 C--O 1.221 -0.44 0 CA-C-O 118.002 -0.999 . . . . 0.0 110.314 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 30' ' ' PHE . . . . . 0.598 ' N ' ' CD1' ' B' ' 30' ' ' PHE . 0.1 OUTLIER . . . . . 0 N--CA 1.49 1.566 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 53.2 t0 54.89 50.08 16.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.946 179.7 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 8.9 pt -124.58 163.69 24.35 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.208 0 N-CA-C 109.621 -0.511 . . . . 0.0 109.621 179.6 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -79.06 75.4 5.58 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 179.067 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 34' ' ' MET . . . . . . . . . . . . . 85.0 mtp -64.92 -38.39 90.81 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.691 -179.039 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -61.81 -38.92 89.93 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.622 -179.051 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.32 122.98 74.06 Favored Pre-proline 0 CA--C 1.541 0.601 0 C-N-CA 120.623 -0.431 . . . . 0.0 110.49 -179.218 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_exo -51.44 -34.09 49.66 Favored 'Trans proline' 0 N--CA 1.5 1.878 0 C-N-CA 121.967 1.778 . . . . 0.0 112.881 179.328 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -54.8 -39.44 68.48 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.851 -0.34 . . . . 0.0 111.057 -178.718 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 92.5 m -63.91 -44.09 94.0 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.529 -0.468 . . . . 0.0 110.136 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -62.97 -41.79 99.64 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.571 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 6.7 mmp_? -64.22 -39.51 94.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.241 179.82 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -61.31 -41.12 96.47 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.332 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -61.98 -39.6 92.71 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.536 179.746 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 53.2 t -61.22 -44.74 98.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.253 -179.659 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -60.64 -47.21 87.27 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.583 -0.447 . . . . 0.0 110.924 -179.338 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 92.9 mt -66.4 -47.2 84.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 C-N-CA 120.662 -0.415 . . . . 0.0 111.064 179.664 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 47' ' ' GLN . . . . . 0.522 ' NE2' ' O ' ' A' ' 114' ' ' GLU . 39.7 mt-30 -65.74 -41.46 92.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.234 -179.6 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 48.2 t -62.6 -46.16 89.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.2 -179.604 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 97.8 mm-40 -65.07 -38.14 89.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.948 -179.774 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 50' ' ' PHE . . . . . 0.617 ' CE2' ' NE2' ' B' ' 54' ' ' GLN . 63.5 t80 -58.55 -47.94 82.55 Favored 'General case' 0 C--N 1.332 -0.191 0 C-N-CA 120.93 -0.308 . . . . 0.0 110.83 -179.42 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 55.9 ttp180 -60.07 -42.99 95.73 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 120.736 -0.385 . . . . 0.0 110.196 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 64.9 tttm -61.91 -39.96 93.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.055 179.267 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 53' ' ' PHE . . . . . . . . . . . . . 40.2 t80 -58.71 -42.7 89.27 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.35 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 54' ' ' GLN . . . . . 0.617 ' NE2' ' CE2' ' B' ' 50' ' ' PHE . 57.0 mt-30 -61.08 -39.34 89.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.132 -179.337 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -61.04 -43.06 99.45 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 120.638 -0.425 . . . . 0.0 111.03 -179.265 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . 0.521 ' HZ2' ' C ' ' A' ' 148' ' ' LYS . 59.1 mtpt -67.13 -39.06 86.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.019 0.438 . . . . 0.0 110.331 179.474 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -61.46 -40.42 94.43 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.972 179.643 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 58' ' ' ALA . . . . . 0.531 ' O ' ' NE2' ' B' ' 61' ' ' GLN . . . -61.09 -39.38 89.69 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.773 -0.648 . . . . 0.0 111.812 -179.288 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . -59.99 -40.68 97.29 Favored Glycine 0 CA--C 1.523 0.54 0 N-CA-C 111.049 -0.82 . . . . 0.0 111.049 -179.284 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 23.1 t -68.26 -12.54 61.19 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.851 0.358 . . . . 0.0 110.038 179.355 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 61' ' ' GLN . . . . . 0.531 ' NE2' ' O ' ' B' ' 58' ' ' ALA . 99.0 mm-40 59.19 41.7 19.85 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.278 -179.269 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 49.0 m . . . . . 0 C--O 1.22 -0.486 0 CA-C-O 118.006 -0.997 . . . . 0.0 110.589 179.888 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 26.5 ptt? . . . . . 0 N--CA 1.491 1.584 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 23.0 pttp -150.91 161.79 42.02 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.722 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . 0.485 ' O ' ' CB ' ' A' ' 79' ' ' THR . 55.5 p30 -135.97 -153.93 0.53 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.601 -179.455 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.516 ' O ' ' N ' ' A' ' 81' ' ' SER . 0.2 OUTLIER 83.38 -11.45 0.92 Allowed 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.329 -179.705 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.465 ' C ' ' O ' ' A' ' 79' ' ' THR . 99.5 m-20 -27.12 88.58 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.334 0 O-C-N 123.999 0.812 . . . . 0.0 111.319 -179.282 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' SER . . . . . 0.516 ' N ' ' O ' ' A' ' 79' ' ' THR . 85.8 p -82.04 -6.93 59.54 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.511 -0.768 . . . . 0.0 111.208 -179.851 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 24.5 pt-20 -55.95 -35.68 66.95 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 120.412 -0.515 . . . . 0.0 110.227 -179.675 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -65.94 -37.03 84.97 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.373 179.087 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -62.39 -44.69 95.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.09 179.658 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 39.7 mm -66.78 -43.28 89.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.667 179.368 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -60.45 -35.92 76.98 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.861 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 16.1 tm-20 -55.52 -40.07 71.32 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.425 -0.584 . . . . 0.0 109.425 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.22 -35.12 74.72 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.971 179.513 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 89.5 m-85 -79.97 -40.36 28.16 Favored 'General case' 0 C--N 1.333 -0.143 0 C-N-CA 120.557 -0.457 . . . . 0.0 110.227 178.574 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -49.95 -25.11 2.98 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.346 -179.219 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 54.8 t -62.02 -39.57 84.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.276 178.663 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 16.0 m-85 -87.41 -25.74 23.65 Favored 'General case' 0 CA--C 1.53 0.182 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.713 -179.759 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 68.1 t0 -93.87 108.18 19.99 Favored 'General case' 0 CA--C 1.529 0.15 0 N-CA-C 109.169 -0.678 . . . . 0.0 109.169 178.777 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 52.5 mttp -97.55 -51.43 4.14 Favored 'General case' 0 CA--C 1.517 -0.304 0 CA-C-O 121.274 0.559 . . . . 0.0 110.403 -179.329 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . 0.437 ' O ' ' OD1' ' A' ' 95' ' ' ASP . 52.1 t0 -65.35 -17.64 64.68 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.301 -0.863 . . . . 0.0 111.217 -178.089 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 66.25 40.67 94.86 Favored Glycine 0 CA--C 1.521 0.416 0 C-N-CA 120.282 -0.961 . . . . 0.0 111.037 179.268 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 47.9 p-10 -88.05 -5.44 58.49 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 178.773 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 92.62 6.12 64.29 Favored Glycine 0 CA--C 1.529 0.924 0 CA-C-N 115.297 -0.865 . . . . 0.0 111.526 179.749 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.469 ' CD1' ' N ' ' A' ' 99' ' ' TYR . 12.0 m-85 -136.51 159.03 43.03 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-O 120.96 0.409 . . . . 0.0 110.934 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -130.36 148.28 33.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 N-CA-C 107.594 -1.261 . . . . 0.0 107.594 177.793 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 39.2 t -58.77 132.4 53.78 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 119.625 -0.83 . . . . 0.0 109.834 -179.525 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -65.02 -36.68 85.16 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.487 -179.679 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -59.29 -40.06 84.93 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.271 0.471 . . . . 0.0 112.271 -177.798 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.401 ' O ' ' CG2' ' A' ' 108' ' ' VAL . 6.1 pt-20 -69.45 -28.19 65.89 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.202 -0.599 . . . . 0.0 110.424 -179.313 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 28.3 tp -61.3 -48.06 83.1 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.045 -0.724 . . . . 0.0 109.045 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 2.1 tpt85 -56.36 -50.66 70.91 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.712 -0.677 . . . . 0.0 109.637 -179.289 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . 0.511 ' O ' ' N ' ' A' ' 111' ' ' ASN . 76.0 t60 -62.72 -46.23 89.04 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.137 0.494 . . . . 0.0 111.2 179.04 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.401 ' CG2' ' O ' ' A' ' 104' ' ' GLU . 67.2 t -61.14 -39.61 83.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.378 -0.828 . . . . 0.0 112.304 -178.551 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.61 -17.73 53.19 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.911 -0.316 . . . . 0.0 111.323 -179.273 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 54.5 p -108.67 -17.87 13.85 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.789 -0.365 . . . . 0.0 111.633 -178.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . 0.511 ' N ' ' O ' ' A' ' 107' ' ' HIS . 23.0 t-20 -112.61 -32.71 6.36 Favored 'General case' 0 N--CA 1.467 0.422 0 N-CA-C 112.509 0.559 . . . . 0.0 112.509 -179.065 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.462 ' O ' ' O ' ' A' ' 113' ' ' GLY . 88.0 mt -108.9 138.64 44.93 Favored 'General case' 0 N--CA 1.466 0.363 0 N-CA-C 112.025 0.38 . . . . 0.0 112.025 -178.448 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . 0.553 ' O ' ' C ' ' A' ' 114' ' ' GLU . . . 55.4 124.32 0.01 OUTLIER Glycine 0 CA--C 1.523 0.543 0 CA-C-N 115.596 -0.729 . . . . 0.0 111.662 178.902 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . 0.553 ' C ' ' O ' ' A' ' 113' ' ' GLY . 45.8 mt-10 14.04 87.32 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.563 0 O-C-N 123.794 0.349 . . . . 0.0 111.319 179.457 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 62.3 mttp -47.11 134.43 10.77 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.265 -177.709 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -90.46 156.07 18.46 Favored 'General case' 0 C--N 1.332 -0.171 0 N-CA-C 108.879 -0.785 . . . . 0.0 108.879 178.743 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 68.6 p -86.02 164.16 17.53 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 179.081 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . 0.42 ' OD1' ' OD2' ' A' ' 122' ' ' ASP . 68.0 t0 -57.5 -42.06 82.01 Favored 'General case' 0 C--N 1.325 -0.487 0 C-N-CA 120.597 -0.441 . . . . 0.0 109.829 -179.748 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 60.3 mp0 -62.26 -40.85 97.57 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.429 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -70.26 -44.8 67.72 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.924 -0.31 . . . . 0.0 110.978 179.459 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 73.1 t -66.16 -42.88 92.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.674 -179.731 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . 0.42 ' OD2' ' OD1' ' A' ' 118' ' ' ASP . 98.4 m-20 -55.77 -39.39 71.17 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 119.915 -0.714 . . . . 0.0 109.668 -178.329 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 53.4 tp10 -62.79 -37.73 87.84 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.996 -0.547 . . . . 0.0 109.625 178.58 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 97.0 mtp -68.53 -38.98 81.33 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.195 179.662 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 1.2 mp -58.77 -41.0 81.31 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.154 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.896 -179.444 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 83.4 mtp180 -66.43 -25.55 66.8 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.895 0.378 . . . . 0.0 110.554 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -96.22 -11.95 25.32 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.641 179.518 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -78.85 -74.28 0.29 Allowed 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.52 -179.162 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . 0.526 ' CG ' ' N ' ' A' ' 130' ' ' ILE . 18.3 t70 166.49 -104.17 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.873 0 O-C-N 123.652 0.595 . . . . 0.0 110.856 179.407 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . 0.526 ' N ' ' CG ' ' A' ' 129' ' ' ASP . 1.2 mp 59.91 -127.96 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 CA-C-N 115.454 -0.794 . . . . 0.0 111.665 -179.606 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . 0.443 ' OD2' ' O ' ' A' ' 130' ' ' ILE . 0.0 OUTLIER 82.19 -21.1 0.32 Allowed 'General case' 0 N--CA 1.462 0.164 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.007 -178.775 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . 0.407 ' H ' ' C ' ' A' ' 130' ' ' ILE . . . 175.95 -71.31 0.08 OUTLIER Glycine 0 CA--C 1.525 0.662 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 179.73 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 45.0 t0 -47.45 -37.04 10.88 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 121.372 -0.131 . . . . 0.0 111.212 -178.053 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 78.31 28.68 55.31 Favored Glycine 0 CA--C 1.531 1.062 0 C-N-CA 120.797 -0.716 . . . . 0.0 113.653 177.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . 0.421 ' O ' ' OD2' ' A' ' 129' ' ' ASP . 6.9 pt20 -121.36 149.54 42.81 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 117.431 0.615 . . . . 0.0 109.634 178.223 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 35.4 t -126.23 135.13 64.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 N-CA-C 112.262 0.467 . . . . 0.0 112.262 -178.5 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -92.09 107.75 19.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.773 -0.649 . . . . 0.0 109.401 178.427 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 43.1 p90 -63.69 -14.71 54.66 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.801 -0.36 . . . . 0.0 111.641 -178.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 53.3 tp10 -59.4 -50.33 74.38 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.13 -0.628 . . . . 0.0 110.056 -179.355 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -60.76 -42.02 96.62 Favored 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 120.87 -0.332 . . . . 0.0 110.611 -179.559 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -59.31 -49.17 78.85 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 178.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 71.4 t -62.27 -43.76 98.36 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 C-N-CA 120.571 -0.452 . . . . 0.0 110.187 179.661 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 10.8 tp-100 -61.58 -42.52 98.98 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 178.716 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 2.2 ttp -62.69 -47.08 85.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.512 -0.767 . . . . 0.0 109.823 178.421 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 145' ' ' MET . . . . . 0.493 ' SD ' ' OE1' ' B' ' 49' ' ' GLN . 65.3 mtt -67.67 -25.39 65.67 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.116 179.822 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 71.0 p -107.87 21.51 17.3 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.106 -179.467 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -132.17 66.97 1.54 Allowed 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.588 -0.278 . . . . 0.0 110.6 179.557 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 8.2 mmtt . . . . . 0 C--O 1.22 -0.452 0 CA-C-O 117.972 -1.013 . . . . 0.0 110.383 179.826 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 30' ' ' PHE . . . . . 0.569 ' N ' ' CD1' ' B' ' 30' ' ' PHE . 0.1 OUTLIER . . . . . 0 N--CA 1.491 1.6 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 41.3 t0 54.54 50.49 15.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.779 179.804 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 6.7 pt -121.11 164.23 17.96 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.185 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 179.829 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -78.15 75.31 4.68 Favored 'General case' 0 C--N 1.325 -0.492 0 C-N-CA 120.429 -0.509 . . . . 0.0 110.158 179.767 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 34' ' ' MET . . . . . . . . . . . . . 51.1 mtt -63.2 -38.28 90.53 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.729 179.744 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 35' ' ' ASP . . . . . 0.532 ' OD1' ' N ' ' B' ' 36' ' ' ALA . 52.3 p-10 -61.3 -29.52 69.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.844 -179.142 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . 0.532 ' N ' ' OD1' ' B' ' 35' ' ' ASP . . . -67.01 141.84 96.9 Favored Pre-proline 0 CA--C 1.534 0.337 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 179.479 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 47.2 Cg_endo -67.68 -26.62 39.13 Favored 'Trans proline' 0 N--CA 1.493 1.477 0 C-N-CA 122.058 1.838 . . . . 0.0 112.673 -179.496 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -63.83 -41.77 97.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.325 -179.484 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 93.0 m -63.39 -49.36 74.08 Favored 'General case' 0 C--N 1.332 -0.155 0 C-N-CA 120.618 -0.433 . . . . 0.0 110.974 -179.291 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -65.11 -43.41 92.08 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 121.315 0.579 . . . . 0.0 109.537 179.311 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 17.7 tpp180 -62.08 -42.3 99.07 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.234 -0.894 . . . . 0.0 110.273 179.156 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -60.52 -40.2 90.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.484 -179.837 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -61.39 -40.78 95.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.345 179.817 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 60.2 t -62.08 -45.93 97.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.539 -179.444 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -61.3 -44.01 97.92 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 120.799 -0.361 . . . . 0.0 111.009 -179.309 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 46' ' ' ILE . . . . . 0.416 HG23 HD12 ' B' ' 46' ' ' ILE . 92.5 mt -63.74 -45.86 96.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.299 179.624 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 47' ' ' GLN . . . . . 0.537 ' NE2' ' O ' ' A' ' 113' ' ' GLY . 93.6 mt-30 -63.69 -38.59 91.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.372 179.252 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 74.7 m -60.15 -41.75 93.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.05 -179.807 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . 0.493 ' OE1' ' SD ' ' A' ' 145' ' ' MET . 82.2 mt-30 -63.54 -40.6 97.43 Favored 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 120.608 -0.437 . . . . 0.0 110.496 179.319 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 56.2 t80 -60.19 -48.15 82.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.01 -179.055 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 51' ' ' ARG . . . . . 0.512 ' NH1' ' OE1' ' A' ' 114' ' ' GLU . 91.5 mtm180 -62.83 -41.54 99.37 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.626 -0.43 . . . . 0.0 110.646 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 56.3 mtmt -66.95 -39.33 87.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.161 179.672 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 53' ' ' PHE . . . . . . . . . . . . . 69.9 t80 -59.98 -49.63 76.92 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.895 -179.18 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 20.2 pt20 -72.0 -29.63 64.41 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.856 -0.338 . . . . 0.0 110.686 179.862 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 38.9 ttpt -61.51 -44.16 97.57 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.266 179.681 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 20.4 tptm -60.74 -43.56 97.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.181 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 8.4 tppt? -61.08 -43.08 99.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.065 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.74 -39.85 93.02 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.449 179.814 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 99.09 149.75 24.89 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 86.8 p -70.74 -18.87 62.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.773 0.321 . . . . 0.0 110.766 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 26.7 mp0 -62.92 -39.93 96.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.517 -179.769 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 1.5 p . . . . . 0 C--O 1.219 -0.502 0 CA-C-O 118.049 -0.977 . . . . 0.0 110.537 179.997 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 67.5 m . . . . . 0 N--CA 1.461 0.125 0 CA-C-O 120.919 0.39 . . . . 0.0 110.339 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -57.41 -37.68 73.13 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 -179.541 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 22.5 pt-20 -62.5 -32.55 73.48 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.35 -0.841 . . . . 0.0 110.468 179.37 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -63.76 -42.69 97.77 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.489 -179.719 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 4.4 mm -67.69 -39.33 81.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.262 179.248 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -61.62 -37.01 82.4 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.075 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 53.9 tp10 -55.32 -40.8 71.6 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 108.763 -0.829 . . . . 0.0 108.763 -179.694 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -59.53 -33.42 71.36 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.548 179.323 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 74.7 m-85 -81.94 -41.27 21.07 Favored 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 120.658 -0.417 . . . . 0.0 110.552 178.8 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 95.0 mtt-85 -53.17 -23.64 8.87 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.672 -178.621 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 54.6 t -60.43 -38.15 76.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.105 178.755 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 18.9 m-85 -87.36 -19.69 27.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.091 -179.386 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 58.0 t0 -88.82 73.26 8.46 Favored 'General case' 0 N--CA 1.464 0.262 0 N-CA-C 109.915 -0.402 . . . . 0.0 109.915 179.22 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 65.1 pttt -70.69 -22.53 62.46 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.943 0.402 . . . . 0.0 111.396 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' ASP . . . . . 0.464 ' CB ' ' ND2' ' A' ' 97' ' ' ASN . 97.5 m-20 -76.72 -25.8 53.96 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.801 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 67.57 30.32 74.8 Favored Glycine 0 CA--C 1.526 0.776 0 N-CA-C 111.044 -0.822 . . . . 0.0 111.044 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' ASN . . . . . 0.464 ' ND2' ' CB ' ' A' ' 95' ' ' ASP . 3.8 p30 -98.61 -1.69 40.3 Favored 'General case' 0 C--N 1.33 -0.239 0 C-N-CA 120.874 -0.33 . . . . 0.0 110.925 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 94.62 8.1 59.79 Favored Glycine 0 CA--C 1.527 0.795 0 N-CA-C 111.312 -0.715 . . . . 0.0 111.312 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.456 ' CD1' ' N ' ' A' ' 99' ' ' TYR . 18.3 m-85 -135.52 156.9 48.15 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.983 0.42 . . . . 0.0 111.18 -179.738 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.406 HD13 HG21 ' A' ' 100' ' ' ILE . 0.4 OUTLIER -130.42 145.5 35.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 178.187 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 41.3 t -58.84 134.75 57.17 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 119.69 -0.804 . . . . 0.0 109.763 -179.789 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.715 ' HB2' HG23 ' A' ' 136' ' ' VAL . . . -66.22 -37.5 85.69 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.849 0.357 . . . . 0.0 111.183 -179.854 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -61.01 -42.14 97.88 Favored 'General case' 0 CA--C 1.535 0.38 0 N-CA-C 112.839 0.681 . . . . 0.0 112.839 -178.193 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.645 ' O ' HG23 ' A' ' 108' ' ' VAL . 1.1 pp20? -67.21 -26.36 66.57 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.436 -0.506 . . . . 0.0 110.791 -178.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 48.1 tp -61.96 -45.96 91.4 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.141 -0.688 . . . . 0.0 109.141 179.755 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 8.7 tmm_? -57.73 -50.74 72.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.221 -179.131 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 107' ' ' HIS . . . . . 0.603 ' CE1' ' ND2' ' A' ' 111' ' ' ASN . 82.8 t60 -61.43 -43.2 99.28 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.041 0.448 . . . . 0.0 110.518 179.787 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.645 HG23 ' O ' ' A' ' 104' ' ' GLU . 67.2 t -62.84 -38.43 81.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 115.543 -0.753 . . . . 0.0 111.508 -179.792 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.63 -18.99 46.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.596 -179.077 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 110' ' ' THR . . . . . 0.508 ' CG2' HG21 ' A' ' 121' ' ' VAL . 81.0 p -108.57 -18.94 13.6 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.685 -0.406 . . . . 0.0 111.186 -179.794 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 111' ' ' ASN . . . . . 0.603 ' ND2' ' CE1' ' A' ' 107' ' ' HIS . 55.9 t30 -107.5 -38.71 5.84 Favored 'General case' 0 CA--C 1.533 0.294 0 N-CA-C 112.68 0.622 . . . . 0.0 112.68 -178.389 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.474 ' O ' ' O ' ' A' ' 113' ' ' GLY . 87.8 mt -103.59 139.85 38.33 Favored 'General case' 0 N--CA 1.468 0.435 0 N-CA-C 112.083 0.401 . . . . 0.0 112.083 -178.635 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 113' ' ' GLY . . . . . 0.573 ' O ' ' C ' ' A' ' 114' ' ' GLU . . . 56.12 128.79 0.01 OUTLIER Glycine 0 CA--C 1.524 0.637 0 CA-C-N 115.419 -0.81 . . . . 0.0 111.558 179.019 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 114' ' ' GLU . . . . . 0.573 ' C ' ' O ' ' A' ' 113' ' ' GLY . 98.2 mt-10 7.92 93.99 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.737 0 O-C-N 124.111 0.536 . . . . 0.0 110.884 179.542 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -50.57 136.61 20.93 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.145 -0.48 . . . . 0.0 112.12 -176.867 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.543 HD12 ' HB3' ' A' ' 120' ' ' GLU . 4.5 mm? -92.61 155.78 17.53 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 115.659 -0.7 . . . . 0.0 109.456 178.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 65.6 p -85.44 167.37 15.56 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.848 -0.427 . . . . 0.0 109.848 179.164 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 118' ' ' ASP . . . . . 0.536 ' OD1' ' N ' ' A' ' 119' ' ' GLU . 40.4 p-10 -58.26 -40.41 81.73 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.582 -0.447 . . . . 0.0 110.546 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 119' ' ' GLU . . . . . 0.536 ' N ' ' OD1' ' A' ' 118' ' ' ASP . 98.5 mt-10 -61.64 -40.41 94.8 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.293 -179.807 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 120' ' ' GLU . . . . . 0.543 ' HB3' HD12 ' A' ' 116' ' ' LEU . 26.7 mm-40 -70.6 -40.83 72.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.256 178.553 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.508 HG21 ' CG2' ' A' ' 110' ' ' THR . 63.7 t -65.77 -44.41 93.1 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.21 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.908 179.58 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -59.3 -43.9 92.59 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 120.888 -0.325 . . . . 0.0 110.792 -179.226 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 53.9 tp10 -61.55 -39.11 89.93 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 179.443 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 124' ' ' MET . . . . . 0.597 ' SD ' ' CE1' ' B' ' 50' ' ' PHE . 35.0 mmm -65.74 -40.83 92.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.545 179.287 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 1.2 mp -63.61 -40.71 90.07 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.302 -179.361 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -63.31 -27.73 69.53 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.085 0.469 . . . . 0.0 109.955 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -97.12 -21.66 17.21 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.968 179.174 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 0.526 ' O ' ' CB ' ' A' ' 129' ' ' ASP . . . -63.33 -44.61 94.42 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.583 -0.281 . . . . 0.0 111.749 -179.395 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 129' ' ' ASP . . . . . 0.526 ' CB ' ' O ' ' A' ' 128' ' ' ALA . 11.3 t70 142.6 -97.13 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.968 0 O-C-N 124.165 0.915 . . . . 0.0 110.809 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 130' ' ' ILE . . . . . 0.722 ' O ' HG22 ' A' ' 130' ' ' ILE . 65.9 mt . . . . . 0 C--N 1.326 -0.421 0 CA-C-N 114.941 -1.027 . . . . 0.0 111.62 -178.889 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.963 0 N-CA-C 111.939 -0.465 . . . . 0.0 111.939 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -124.56 155.64 38.7 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-O 120.946 0.403 . . . . 0.0 110.633 179.466 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 136' ' ' VAL . . . . . 0.715 HG23 ' HB2' ' A' ' 102' ' ' ALA . 25.1 t -126.78 135.61 63.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.744 -179.341 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 7.3 p-10 -95.42 109.03 21.26 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.831 -0.622 . . . . 0.0 109.351 178.733 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 35.6 p90 -58.53 -11.72 3.26 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.507 -0.477 . . . . 0.0 111.453 -178.858 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -59.07 -50.0 75.74 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 119.992 -0.683 . . . . 0.0 109.766 -179.748 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 52.5 tp10 -59.45 -41.94 90.79 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 116.689 -0.232 . . . . 0.0 110.929 -179.201 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -60.33 -41.14 92.95 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.271 -0.572 . . . . 0.0 109.731 179.208 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 51.8 t -62.92 -42.67 97.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.495 178.767 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 24.2 tt0 -59.89 -44.13 94.4 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 120.436 -0.506 . . . . 0.0 109.878 -179.618 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 73.6 mtm -60.11 -43.57 95.51 Favored 'General case' 0 C--N 1.332 -0.164 0 N-CA-C 108.359 -0.978 . . . . 0.0 108.359 178.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 1.1 mpp? . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.472 -179.991 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.563 0.221 . . . . 0.0 111.392 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -59.3 119.59 40.49 Favored Pre-proline 0 CA--C 1.54 0.566 0 C-N-CA 120.788 -0.365 . . . . 0.0 110.743 -178.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_exo -52.99 -30.28 48.01 Favored 'Trans proline' 0 N--CA 1.499 1.814 0 C-N-CA 121.925 1.75 . . . . 0.0 112.517 178.826 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 53.1 tt0 -59.43 -43.12 93.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.768 -179.224 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 96.8 m -62.02 -45.71 92.38 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.569 -0.452 . . . . 0.0 110.298 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -63.56 -41.61 98.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.459 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 23.9 mmt85 -64.99 -39.49 93.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.469 179.794 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -61.35 -40.51 94.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.488 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -61.61 -41.0 96.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.294 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 60.5 t -63.31 -44.19 98.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.417 -179.72 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -60.39 -45.05 94.96 Favored 'General case' 0 C--N 1.331 -0.199 0 C-N-CA 120.865 -0.334 . . . . 0.0 111.211 -178.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 97.7 mt -64.07 -46.67 93.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-O 121.081 0.467 . . . . 0.0 110.133 179.575 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 47' ' ' GLN . . . . . 0.447 ' NE2' ' O ' ' A' ' 113' ' ' GLY . 95.9 mt-30 -63.99 -42.01 97.33 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.663 -0.699 . . . . 0.0 111.084 -179.591 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 48.1 t -61.6 -45.92 92.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.122 0.487 . . . . 0.0 109.697 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 72.1 mm-40 -65.39 -39.71 92.57 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.418 179.284 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 50' ' ' PHE . . . . . 0.597 ' CE1' ' SD ' ' A' ' 124' ' ' MET . 46.7 t80 -60.09 -47.77 84.51 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.718 179.757 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 13.8 tpp85 -59.89 -43.7 94.64 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.103 -179.765 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 1.2 mptp? -66.0 -36.41 83.21 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.869 0.366 . . . . 0.0 110.462 179.513 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 53' ' ' PHE . . . . . . . . . . . . . 93.8 t80 -59.32 -46.59 88.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.382 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 30.2 mm100 -61.62 -40.5 95.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.601 -179.584 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 68.4 mttm . . . . . 0 C--N 1.33 -0.274 0 C-N-CA 120.908 -0.317 . . . . 0.0 110.869 179.938 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 69.9 m . . . . . 0 N--CA 1.46 0.067 0 CA-C-O 120.654 0.264 . . . . 0.0 110.942 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -59.4 -37.89 79.18 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.989 -0.745 . . . . 0.0 108.989 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 2.5 pp20? -62.97 -30.44 71.59 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.189 -0.914 . . . . 0.0 110.359 179.38 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 53.4 tp10 -70.68 -41.58 71.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.016 -179.739 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 38.9 mm -68.42 -46.55 80.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 N-CA-C 112.374 0.509 . . . . 0.0 112.374 -179.177 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 20.5 ptp180 -62.99 -27.47 69.43 Favored 'General case' 0 CA--C 1.521 -0.159 0 C-N-CA 120.482 -0.487 . . . . 0.0 110.585 -179.358 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -59.4 -40.73 87.54 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 179.51 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.18 -32.71 72.45 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.934 179.539 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 84.4 m-85 -81.38 -41.58 21.75 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 120.472 -0.491 . . . . 0.0 110.447 178.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -46.31 -28.46 1.31 Allowed 'General case' 0 N--CA 1.465 0.292 0 CA-C-O 120.853 0.359 . . . . 0.0 110.404 -179.72 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 55.2 t -61.21 -39.03 81.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.952 179.609 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 9.0 m-85 -89.94 -24.71 21.22 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.994 -179.232 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.447 ' OD1' ' O ' ' A' ' 99' ' ' TYR . 38.5 t70 -88.22 67.37 8.75 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.973 0.416 . . . . 0.0 110.121 178.947 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 65.3 pttt -73.51 -21.66 60.34 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.475 179.81 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' ASP . . . . . 0.459 ' CB ' ' ND2' ' A' ' 97' ' ' ASN . 97.9 m-20 -73.56 -25.85 60.57 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.518 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 69.18 24.8 75.85 Favored Glycine 0 CA--C 1.526 0.775 0 N-CA-C 111.139 -0.784 . . . . 0.0 111.139 179.804 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' ASN . . . . . 0.459 ' ND2' ' CB ' ' A' ' 95' ' ' ASP . 3.1 p30 -93.21 -6.81 46.88 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 121.018 -0.273 . . . . 0.0 110.833 -179.852 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 98' ' ' GLY . . . . . 0.421 ' C ' ' CD1' ' A' ' 99' ' ' TYR . . . 95.25 10.4 57.2 Favored Glycine 0 CA--C 1.53 0.986 0 N-CA-C 111.162 -0.775 . . . . 0.0 111.162 -179.715 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.447 ' O ' ' OD1' ' A' ' 93' ' ' ASP . 15.2 m-85 -135.13 155.7 50.27 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.361 0.6 . . . . 0.0 112.239 -179.251 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.409 HD13 HG21 ' A' ' 100' ' ' ILE . 0.2 OUTLIER -129.75 143.47 41.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 N-CA-C 107.457 -1.312 . . . . 0.0 107.457 177.427 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 73.4 m -60.06 132.44 53.95 Favored 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 119.627 -0.829 . . . . 0.0 109.897 -179.326 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.697 ' HB2' HG23 ' A' ' 136' ' ' VAL . . . -62.32 -39.39 92.91 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 121.061 0.457 . . . . 0.0 110.332 179.812 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -58.31 -42.45 86.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.633 -179.441 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 -61.2 -41.32 96.63 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.93 178.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 2.6 tt -59.42 -48.71 80.62 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.696 -0.401 . . . . 0.0 110.988 -178.904 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 2.9 tmt_? -57.74 -50.06 74.49 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.289 -0.564 . . . . 0.0 110.501 -179.227 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 107' ' ' HIS . . . . . 0.516 ' O ' ' N ' ' A' ' 111' ' ' ASN . 43.6 t-80 -60.96 -47.56 85.88 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.017 0.437 . . . . 0.0 110.827 -179.76 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 50.1 t -62.03 -37.62 78.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 115.597 -0.729 . . . . 0.0 111.202 179.809 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 109' ' ' MET . . . . . 0.413 ' HA ' HE21 ' B' ' 47' ' ' GLN . 0.0 OUTLIER -72.5 -29.97 64.1 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.616 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 110' ' ' THR . . . . . 0.604 ' CG2' HG21 ' A' ' 121' ' ' VAL . 69.4 p -104.3 -16.52 15.14 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.559 -0.456 . . . . 0.0 112.229 -178.496 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 111' ' ' ASN . . . . . 0.516 ' N ' ' O ' ' A' ' 107' ' ' HIS . 19.1 t-20 -104.11 -45.6 4.67 Favored 'General case' 0 N--CA 1.467 0.376 0 N-CA-C 112.755 0.65 . . . . 0.0 112.755 -178.401 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.455 ' O ' ' O ' ' A' ' 113' ' ' GLY . 81.1 mt -100.82 141.49 33.63 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 120.919 0.39 . . . . 0.0 111.573 -178.471 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 113' ' ' GLY . . . . . 0.554 ' O ' ' C ' ' A' ' 114' ' ' GLU . . . 58.61 129.2 0.01 OUTLIER Glycine 0 CA--C 1.523 0.537 0 N-CA-C 110.867 -0.893 . . . . 0.0 110.867 179.391 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 114' ' ' GLU . . . . . 0.554 ' C ' ' O ' ' A' ' 113' ' ' GLY . 78.7 mm-40 8.82 87.38 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.629 0 O-C-N 124.195 0.585 . . . . 0.0 111.355 179.687 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 52.5 mtpt -45.04 129.5 7.52 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.597 -177.646 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.676 HD12 ' HB3' ' A' ' 120' ' ' GLU . 4.3 mm? -87.06 157.87 19.33 Favored 'General case' 0 N--CA 1.462 0.169 0 N-CA-C 108.486 -0.931 . . . . 0.0 108.486 178.249 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 117' ' ' THR . . . . . 0.445 ' OG1' ' OE1' ' A' ' 120' ' ' GLU . 73.2 p -94.27 171.95 8.51 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 120.454 -0.498 . . . . 0.0 110.199 179.36 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 68.0 t0 -58.89 -41.82 88.06 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.167 -179.257 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -61.87 -41.01 97.33 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.85 -0.34 . . . . 0.0 110.575 -179.616 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 120' ' ' GLU . . . . . 0.676 ' HB3' HD12 ' A' ' 116' ' ' LEU . 1.0 OUTLIER -69.78 -41.42 75.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.977 0.418 . . . . 0.0 110.613 178.884 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.604 HG21 ' CG2' ' A' ' 110' ' ' THR . 62.6 t -65.65 -42.72 93.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.884 179.858 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -59.02 -40.81 86.1 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.297 -0.561 . . . . 0.0 110.228 -178.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 54.1 tp10 -63.44 -38.77 92.42 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.141 -0.688 . . . . 0.0 109.141 178.562 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 124' ' ' MET . . . . . 0.604 ' SD ' ' CE1' ' B' ' 50' ' ' PHE . 46.5 mmm -67.54 -39.21 85.0 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.351 -0.841 . . . . 0.0 110.59 179.197 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 125' ' ' ILE . . . . . 0.6 HG13 HD11 ' A' ' 130' ' ' ILE . 1.1 mp -62.05 -40.69 88.29 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.223 0 CA-C-N 116.042 -0.527 . . . . 0.0 111.225 -179.332 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 83.8 mtp180 -63.58 -26.1 68.54 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.022 0.439 . . . . 0.0 110.085 -179.724 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -97.01 -7.6 32.55 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.887 179.327 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 0.597 ' HB1' HG21 ' A' ' 136' ' ' VAL . . . -86.83 -79.24 0.27 Allowed 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.526 -178.885 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 129' ' ' ASP . . . . . 0.474 ' CB ' ' O ' ' A' ' 128' ' ' ALA . 1.5 m-20 159.47 -88.98 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.797 0 N-CA-C 111.679 0.251 . . . . 0.0 111.679 179.403 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 130' ' ' ILE . . . . . 0.6 HD11 HG13 ' A' ' 125' ' ' ILE . 67.6 mt . . . . . 0 N--CA 1.466 0.371 0 O-C-N 124.237 0.961 . . . . 0.0 109.899 -177.912 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.661 0 CA-C-O 119.904 -0.387 . . . . 0.0 112.38 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 6.3 mm100 -124.52 144.01 50.35 Favored 'General case' 0 N--CA 1.463 0.217 0 C-N-CA 120.392 -0.523 . . . . 0.0 110.365 178.581 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 136' ' ' VAL . . . . . 0.697 HG23 ' HB2' ' A' ' 102' ' ' ALA . 38.3 t -130.19 134.88 61.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.626 -0.716 . . . . 0.0 112.161 -179.402 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 43.3 t30 -92.96 110.92 22.39 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 108.353 -0.98 . . . . 0.0 108.353 178.2 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 47.0 p90 -65.47 -8.92 21.62 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 112.441 0.534 . . . . 0.0 112.441 -178.238 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 15.9 tm-20 -60.59 -50.43 73.57 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 119.889 -0.724 . . . . 0.0 111.3 -179.004 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 140' ' ' GLU . . . . . 0.422 ' OE2' ' O ' ' A' ' 128' ' ' ALA . 24.9 pt-20 -62.52 -35.03 78.1 Favored 'General case' 0 CA--C 1.52 -0.198 0 C-N-CA 120.469 -0.492 . . . . 0.0 110.81 -179.145 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 141' ' ' PHE . . . . . 0.542 ' O ' ' SD ' ' A' ' 145' ' ' MET . 1.1 m-85 -62.83 -43.92 97.51 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 178.727 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 51.9 t -62.06 -40.8 88.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 C-N-CA 120.288 -0.565 . . . . 0.0 109.652 178.508 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 71.6 tp60 -59.98 -42.14 93.52 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 178.843 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 66.9 mtp -61.45 -45.76 92.94 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-N 115.943 -0.572 . . . . 0.0 109.989 179.351 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 145' ' ' MET . . . . . 0.542 ' SD ' ' O ' ' A' ' 141' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 115.681 -0.69 . . . . 0.0 111.599 -179.41 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 55.3 p30 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.482 0.182 . . . . 0.0 111.1 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -104.45 144.46 28.76 Favored Pre-proline 0 CA--C 1.533 0.314 0 C-N-CA 120.927 -0.309 . . . . 0.0 110.216 179.753 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -69.95 -27.93 24.94 Favored 'Trans proline' 0 N--CA 1.491 1.356 0 C-N-CA 122.333 2.022 . . . . 0.0 112.92 -179.826 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -63.11 -41.84 99.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.194 -179.32 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 94.2 m -63.91 -46.1 86.33 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.71 -0.396 . . . . 0.0 110.517 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -63.27 -42.83 99.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.425 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 43.5 mmm-85 -63.04 -40.01 96.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.4 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -61.61 -41.58 97.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.488 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -62.36 -41.54 98.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.443 179.818 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 56.3 t -62.83 -43.97 99.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.634 -179.551 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -60.39 -44.94 95.18 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.742 -0.383 . . . . 0.0 111.295 -178.876 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 46' ' ' ILE . . . . . 0.407 HG21 ' CE ' ' A' ' 109' ' ' MET . 97.1 mt -64.44 -47.21 90.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 120.944 0.402 . . . . 0.0 110.874 179.797 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 47' ' ' GLN . . . . . 0.413 HE21 ' HA ' ' A' ' 109' ' ' MET . 86.1 mt-30 -64.72 -40.8 95.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.96 -179.478 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 48.1 t -60.83 -46.27 91.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.148 -179.483 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 69.7 tp60 -66.37 -37.94 86.45 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 179.4 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 50' ' ' PHE . . . . . 0.604 ' CE1' ' SD ' ' A' ' 124' ' ' MET . 48.9 t80 -59.74 -42.88 94.16 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.8 179.708 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 44.5 ttm180 -57.29 -40.1 77.11 Favored 'General case' 0 C--N 1.324 -0.523 0 C-N-CA 120.489 -0.484 . . . . 0.0 110.015 -179.753 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 64.3 mmtt -62.02 -36.5 81.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.14 179.401 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 53' ' ' PHE . . . . . . . . . . . . . 51.8 t80 -57.65 -42.26 83.12 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.34 -179.656 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 31.7 mt-30 -61.27 -39.9 92.12 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.655 -179.659 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 63.1 mttp . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.641 179.876 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 66.5 m . . . . . 0 N--CA 1.463 0.198 0 CA-C-O 120.677 0.275 . . . . 0.0 110.839 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 23.4 pt-20 -55.17 -32.82 62.46 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 120.23 -0.588 . . . . 0.0 109.576 -179.577 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -66.46 -34.22 77.45 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.325 -0.852 . . . . 0.0 110.266 179.459 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 53.4 tp10 -63.32 -45.61 90.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.251 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 4.7 mm -67.02 -41.04 86.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.602 179.725 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 79.3 mtp180 -60.54 -35.67 76.58 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.996 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 16.0 tm-20 -55.45 -41.18 72.54 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.19 -35.09 74.59 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.642 179.231 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 72.9 m-85 -77.78 -41.86 35.92 Favored 'General case' 0 C--N 1.333 -0.14 0 C-N-CA 120.739 -0.384 . . . . 0.0 110.314 178.337 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -49.08 -27.0 3.01 Favored 'General case' 0 N--CA 1.462 0.129 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.493 -178.748 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 54.5 t -61.17 -39.62 83.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 N-CA-C 109.913 -0.403 . . . . 0.0 109.913 178.596 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -87.11 -26.92 23.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.043 -179.656 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.421 ' OD1' ' O ' ' A' ' 99' ' ' TYR . 46.1 t0 -87.17 71.49 10.09 Favored 'General case' 0 N--CA 1.464 0.225 0 N-CA-C 109.938 -0.393 . . . . 0.0 109.938 179.387 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 23.4 pttp -70.63 -22.19 62.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.925 0.393 . . . . 0.0 111.46 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -76.1 -26.12 56.11 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.692 179.801 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 66.55 29.68 75.2 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.708 -0.957 . . . . 0.0 110.708 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -97.55 -1.17 44.52 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.669 0.271 . . . . 0.0 110.801 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 94.38 7.62 60.46 Favored Glycine 0 CA--C 1.529 0.925 0 N-CA-C 111.303 -0.719 . . . . 0.0 111.303 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.454 ' CD1' ' N ' ' A' ' 99' ' ' TYR . 15.3 m-85 -135.23 157.55 46.64 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-O 121.191 0.519 . . . . 0.0 111.646 -179.442 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.447 HD11 HD13 ' A' ' 105' ' ' LEU . 0.2 OUTLIER -131.46 146.94 32.84 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.142 0 N-CA-C 107.949 -1.13 . . . . 0.0 107.949 178.015 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 67.5 m -59.35 133.59 56.24 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 119.622 -0.831 . . . . 0.0 109.643 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.646 ' HB2' HG23 ' A' ' 136' ' ' VAL . . . -64.47 -39.12 93.21 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.034 0.445 . . . . 0.0 111.146 -179.751 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -60.08 -42.06 93.78 Favored 'General case' 0 CA--C 1.534 0.328 0 N-CA-C 112.978 0.733 . . . . 0.0 112.978 -177.66 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.711 ' O ' HG23 ' A' ' 108' ' ' VAL . 1.0 OUTLIER -68.62 -27.7 66.26 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.38 -0.528 . . . . 0.0 111.047 -179.067 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.447 HD13 HD11 ' A' ' 100' ' ' ILE . 20.7 tp -62.46 -48.16 80.86 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 106' ' ' ARG . . . . . 0.43 ' C ' ' CD ' ' A' ' 106' ' ' ARG . 0.0 OUTLIER -57.9 -51.36 69.95 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.391 -179.367 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 107' ' ' HIS . . . . . 0.615 ' CE1' ' ND2' ' A' ' 111' ' ' ASN . 82.3 t60 -60.25 -45.33 93.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.234 0.54 . . . . 0.0 110.535 179.361 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.711 HG23 ' O ' ' A' ' 104' ' ' GLU . 58.0 t -61.86 -38.24 80.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 115.301 -0.863 . . . . 0.0 111.285 -179.844 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 109' ' ' MET . . . . . 0.458 ' HA ' HE21 ' B' ' 47' ' ' GLN . 0.0 OUTLIER -76.85 -27.51 55.12 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.98 -179.597 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 110' ' ' THR . . . . . 0.504 ' CG2' HG21 ' A' ' 121' ' ' VAL . 81.2 p -104.47 -16.48 15.06 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 120.648 -0.421 . . . . 0.0 111.808 -178.878 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 111' ' ' ASN . . . . . 0.615 ' ND2' ' CE1' ' A' ' 107' ' ' HIS . 58.8 t30 -108.86 -38.83 5.5 Favored 'General case' 0 N--CA 1.464 0.272 0 N-CA-C 112.538 0.57 . . . . 0.0 112.538 -178.706 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.465 ' O ' ' O ' ' A' ' 113' ' ' GLY . 68.4 mt -106.01 140.35 39.14 Favored 'General case' 0 N--CA 1.466 0.343 0 C-N-CA 120.899 -0.321 . . . . 0.0 111.416 -178.55 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 113' ' ' GLY . . . . . 0.552 ' O ' ' C ' ' A' ' 114' ' ' GLU . . . 58.37 125.39 0.01 OUTLIER Glycine 0 CA--C 1.523 0.537 0 N-CA-C 110.866 -0.894 . . . . 0.0 110.866 179.288 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 114' ' ' GLU . . . . . 0.552 ' C ' ' O ' ' A' ' 113' ' ' GLY . 98.8 mt-10 11.84 87.33 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.664 0 O-C-N 124.177 0.575 . . . . 0.0 111.037 179.643 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -46.27 130.94 10.62 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 120.994 0.426 . . . . 0.0 111.928 -177.375 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.68 HD12 ' HB3' ' A' ' 120' ' ' GLU . 4.3 mm? -89.0 157.09 18.49 Favored 'General case' 0 N--CA 1.462 0.17 0 N-CA-C 108.661 -0.866 . . . . 0.0 108.661 178.332 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 117' ' ' THR . . . . . 0.536 ' O ' HG23 ' A' ' 121' ' ' VAL . 72.8 p -92.93 171.58 8.87 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.68 -0.408 . . . . 0.0 110.227 179.486 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -59.3 -41.11 88.24 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.846 -0.342 . . . . 0.0 110.981 -179.003 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -62.01 -41.43 98.06 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.805 -0.358 . . . . 0.0 110.532 -179.688 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 120' ' ' GLU . . . . . 0.68 ' HB3' HD12 ' A' ' 116' ' ' LEU . 0.8 OUTLIER -69.35 -40.71 77.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.96 0.41 . . . . 0.0 110.117 178.56 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.536 HG23 ' O ' ' A' ' 117' ' ' THR . 62.3 t -63.77 -45.16 98.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.94 179.739 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -58.3 -40.67 82.62 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.344 -0.542 . . . . 0.0 110.437 -178.658 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 15.4 tm-20 -64.03 -38.57 91.55 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 178.43 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 124' ' ' MET . . . . . 0.592 ' SD ' ' CE1' ' B' ' 50' ' ' PHE . 48.7 mmm -67.66 -39.98 84.52 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.306 -0.861 . . . . 0.0 110.774 179.536 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 1.2 mp -63.01 -39.53 85.55 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.118 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.785 -179.365 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 13.6 tpp85 -62.89 -28.86 70.34 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.408 179.753 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -96.02 -10.3 28.87 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.987 -0.552 . . . . 0.0 111.227 179.788 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 0.582 ' HB1' HG21 ' A' ' 136' ' ' VAL . . . -79.46 -68.01 0.7 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.562 -178.93 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 129' ' ' ASP . . . . . 0.471 ' CB ' ' O ' ' A' ' 128' ' ' ALA . 9.5 m-20 156.83 -94.63 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.78 0 CA-C-O 120.961 0.41 . . . . 0.0 111.341 179.467 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 130' ' ' ILE . . . . . 0.717 ' O ' HG22 ' A' ' 130' ' ' ILE . 95.9 mt . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.768 -178.289 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.108 0 CA-C-O 120.029 -0.317 . . . . 0.0 112.608 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 12.6 pt20 -124.64 149.52 47.02 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-N 117.26 0.53 . . . . 0.0 110.789 179.246 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 136' ' ' VAL . . . . . 0.646 HG23 ' HB2' ' A' ' 102' ' ' ALA . 25.3 t -132.53 135.34 57.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.671 -0.695 . . . . 0.0 112.166 -179.244 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 137' ' ' ASN . . . . . 0.558 ' O ' ' ND2' ' A' ' 137' ' ' ASN . 0.4 OUTLIER -92.96 110.75 22.22 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.703 -0.68 . . . . 0.0 109.555 178.468 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 41.9 p90 -62.92 -12.08 22.84 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.617 -0.433 . . . . 0.0 111.681 -178.754 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -58.71 -49.63 76.88 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.154 -0.619 . . . . 0.0 110.269 -179.377 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -61.32 -39.93 92.35 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 120.929 -0.308 . . . . 0.0 111.155 -179.348 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -61.81 -42.53 99.13 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.446 -0.501 . . . . 0.0 109.994 179.095 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 54.7 t -64.65 -40.78 90.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 C-N-CA 120.616 -0.434 . . . . 0.0 110.18 178.881 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 11.0 tp-100 -59.93 -41.49 91.9 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 108.95 -0.759 . . . . 0.0 108.95 179.13 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 69.7 mtp -59.51 -43.15 93.45 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 108.658 -0.867 . . . . 0.0 108.658 179.325 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 68.4 mtt . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 115.491 -0.777 . . . . 0.0 111.797 -179.715 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.581 0.229 . . . . 0.0 110.664 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.92 121.27 60.76 Favored Pre-proline 0 CA--C 1.543 0.687 0 C-N-CA 120.66 -0.416 . . . . 0.0 110.168 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 76.5 Cg_exo -51.64 -35.19 56.27 Favored 'Trans proline' 0 N--CA 1.501 1.962 0 C-N-CA 122.012 1.808 . . . . 0.0 112.962 179.29 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 24.4 pt-20 -55.3 -34.8 64.46 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.317 -178.753 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 97.0 m -61.75 -48.43 80.71 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.738 -0.385 . . . . 0.0 110.747 -179.618 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 25.7 mp0 -64.54 -40.36 95.45 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.236 0.541 . . . . 0.0 109.991 179.172 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 29.7 tpt180 -61.04 -45.45 94.72 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.393 -0.821 . . . . 0.0 110.182 179.592 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -61.46 -39.87 92.45 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.177 179.675 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -61.43 -40.8 95.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.2 179.739 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 58.1 t -62.4 -45.28 99.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.727 -179.564 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 45' ' ' ALA . . . . . 0.453 ' O ' ' OE1' ' B' ' 49' ' ' GLN . . . -60.74 -44.41 96.72 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.783 -0.367 . . . . 0.0 111.021 -179.108 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 90.6 mt -62.69 -46.13 97.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-O 120.88 0.371 . . . . 0.0 110.629 179.709 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 47' ' ' GLN . . . . . 0.535 ' NE2' ' O ' ' A' ' 113' ' ' GLY . 88.5 mt-30 -65.26 -40.23 93.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.947 179.783 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 48.3 t -60.52 -47.38 86.42 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.551 -179.385 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 49' ' ' GLN . . . . . 0.453 ' OE1' ' O ' ' B' ' 45' ' ' ALA . 7.1 mp0 -65.91 -36.43 83.38 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.161 178.832 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 50' ' ' PHE . . . . . 0.626 ' CE2' ' NE2' ' B' ' 54' ' ' GLN . 34.1 t80 -59.82 -46.77 88.21 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.978 179.76 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 5.3 mtp180 -60.69 -38.09 83.82 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 120.74 -0.384 . . . . 0.0 110.245 -179.64 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -60.98 -38.05 84.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.896 0.379 . . . . 0.0 110.31 179.512 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 53' ' ' PHE . . . . . . . . . . . . . 68.0 t80 -58.81 -45.43 89.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.148 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 54' ' ' GLN . . . . . 0.626 ' NE2' ' CE2' ' B' ' 50' ' ' PHE . 76.4 mt-30 -61.78 -39.92 93.39 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.949 -179.66 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 59.5 mtpt . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.86 -179.59 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 68.3 m . . . . . 0 CA--C 1.52 -0.19 0 CA-C-O 120.922 0.392 . . . . 0.0 110.311 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.515 ' OE2' ' NH2' ' A' ' 86' ' ' ARG . 88.6 tt0 -57.01 -39.66 75.14 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 179.802 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 3.0 pp20? -62.1 -34.84 77.07 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.389 -0.823 . . . . 0.0 110.501 179.325 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -63.92 -43.42 95.97 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.539 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 4.9 mm -65.22 -41.3 91.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.037 179.769 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.515 ' NH2' ' OE2' ' A' ' 82' ' ' GLU . 99.6 mtt180 -60.44 -36.32 77.93 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.865 -179.838 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 53.8 tp10 -55.82 -39.72 71.77 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.26 -0.645 . . . . 0.0 109.26 -179.646 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.9 -36.44 79.28 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.041 179.504 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 77.9 m-85 -77.88 -42.06 34.62 Favored 'General case' 0 C--N 1.332 -0.193 0 C-N-CA 120.755 -0.378 . . . . 0.0 110.57 178.807 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? -45.63 -30.87 1.65 Allowed 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.33 -179.481 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.465 HG11 HG23 ' B' ' 39' ' ' THR . 53.2 t -61.46 -39.46 82.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.51 179.491 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -85.18 -25.23 27.53 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.609 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 67.8 t0 -90.79 84.83 5.88 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 178.638 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 25.8 tttp -87.52 -22.72 24.7 Favored 'General case' 0 N--CA 1.448 -0.552 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.754 -179.407 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -74.08 -26.54 60.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.992 0.425 . . . . 0.0 109.893 178.784 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 70.56 26.56 73.91 Favored Glycine 0 CA--C 1.526 0.725 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -93.8 -2.9 52.96 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.99 -0.284 . . . . 0.0 111.189 -179.83 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' GLY . . . . . 0.414 ' C ' ' CD1' ' A' ' 99' ' ' TYR . . . 93.53 9.79 59.82 Favored Glycine 0 CA--C 1.531 1.032 0 N-CA-C 111.355 -0.698 . . . . 0.0 111.355 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.446 ' CD1' ' N ' ' A' ' 99' ' ' TYR . 21.2 m-85 -136.55 158.68 43.86 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-O 121.217 0.532 . . . . 0.0 112.209 -179.647 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.401 HD13 HG21 ' A' ' 100' ' ' ILE . 1.4 pt -130.43 144.25 38.53 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.149 0 N-CA-C 108.435 -0.95 . . . . 0.0 108.435 178.161 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 71.7 m -70.33 104.1 2.59 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 119.821 -0.751 . . . . 0.0 109.04 179.071 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.523 ' HB3' ' O ' ' A' ' 134' ' ' GLY . . . -48.82 -21.22 0.59 Allowed 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 112.501 0.556 . . . . 0.0 112.501 -177.387 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -61.34 -41.03 96.38 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 119.741 -0.783 . . . . 0.0 109.041 178.673 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.716 ' O ' HG23 ' A' ' 108' ' ' VAL . 4.7 pt-20 -73.15 -29.35 62.81 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.176 179.782 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 46.6 tp -61.18 -48.92 79.31 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 -179.765 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 106' ' ' ARG . . . . . 0.483 ' O ' HG23 ' A' ' 110' ' ' THR . 8.3 tmm_? -57.71 -49.42 76.61 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.466 -179.262 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 107' ' ' HIS . . . . . 0.527 ' O ' ' N ' ' A' ' 111' ' ' ASN . 86.1 t60 -60.7 -44.22 96.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.35 0.595 . . . . 0.0 109.964 179.552 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.716 HG23 ' O ' ' A' ' 104' ' ' GLU . 58.6 t -62.08 -39.32 83.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 115.143 -0.935 . . . . 0.0 111.123 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -76.77 -22.41 53.79 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.3 -179.599 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 110' ' ' THR . . . . . 0.483 HG23 ' O ' ' A' ' 106' ' ' ARG . 71.8 p -106.05 -17.79 14.23 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.734 -0.386 . . . . 0.0 111.766 -178.514 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 111' ' ' ASN . . . . . 0.527 ' N ' ' O ' ' A' ' 107' ' ' HIS . 57.0 t30 -109.96 -34.96 6.27 Favored 'General case' 0 N--CA 1.466 0.335 0 N-CA-C 112.624 0.602 . . . . 0.0 112.624 -178.486 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.466 ' O ' ' O ' ' A' ' 113' ' ' GLY . 86.6 mt -107.52 140.23 40.83 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-O 120.87 0.367 . . . . 0.0 111.729 -178.752 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 113' ' ' GLY . . . . . 0.569 ' O ' ' C ' ' A' ' 114' ' ' GLU . . . 55.94 124.3 0.01 OUTLIER Glycine 0 CA--C 1.524 0.612 0 CA-C-N 115.552 -0.749 . . . . 0.0 111.364 179.195 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 114' ' ' GLU . . . . . 0.569 ' C ' ' O ' ' A' ' 113' ' ' GLY . 98.8 mt-10 13.66 88.14 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.68 0 O-C-N 123.776 0.339 . . . . 0.0 110.957 179.483 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 62.6 mttp -47.45 134.48 11.86 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.621 -177.355 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.614 HD12 ' HB3' ' A' ' 120' ' ' GLU . 4.3 mm? -90.32 157.87 17.43 Favored 'General case' 0 N--CA 1.463 0.178 0 N-CA-C 108.895 -0.779 . . . . 0.0 108.895 178.786 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 117' ' ' THR . . . . . 0.536 ' O ' HG23 ' A' ' 121' ' ' VAL . 69.5 p -90.66 168.42 11.79 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.781 -0.368 . . . . 0.0 110.062 179.321 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -59.45 -40.7 87.71 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.799 -0.36 . . . . 0.0 110.598 -179.466 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 53.3 tp10 -62.36 -42.33 99.31 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.095 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 120' ' ' GLU . . . . . 0.614 ' HB3' HD12 ' A' ' 116' ' ' LEU . 52.6 mt-10 -69.51 -39.78 77.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.119 178.826 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.536 HG23 ' O ' ' A' ' 117' ' ' THR . 66.6 t -64.93 -43.47 96.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.857 179.356 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -59.91 -40.94 90.52 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 120.369 -0.532 . . . . 0.0 109.838 -179.091 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -63.83 -40.07 95.72 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 178.37 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 124' ' ' MET . . . . . 0.597 ' SD ' ' CD1' ' B' ' 50' ' ' PHE . 47.3 mmm -63.38 -41.42 98.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.401 -0.818 . . . . 0.0 110.357 179.448 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 125' ' ' ILE . . . . . 0.446 HD13 HG12 ' A' ' 121' ' ' VAL . 0.9 OUTLIER -67.02 -34.25 68.64 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.132 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.612 -179.729 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 1.2 mmp_? -63.19 -32.06 73.36 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.611 -179.741 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -95.56 -10.12 30.47 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.801 179.493 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 0.617 ' HB1' HG21 ' A' ' 136' ' ' VAL . . . -78.66 -74.35 0.28 Allowed 'General case' 0 CA--C 1.533 0.294 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.286 -179.397 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 129' ' ' ASP . . . . . 0.513 ' CG ' ' N ' ' A' ' 130' ' ' ILE . 28.0 t70 168.26 -107.97 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.891 0 O-C-N 123.675 0.609 . . . . 0.0 110.839 179.118 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 130' ' ' ILE . . . . . 0.731 ' O ' HG22 ' A' ' 130' ' ' ILE . 77.9 mt . . . . . 0 C--N 1.331 -0.23 0 CA-C-N 115.138 -0.937 . . . . 0.0 112.163 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 134' ' ' GLY . . . . . 0.523 ' O ' ' HB3' ' A' ' 102' ' ' ALA . . . . . . . . 0 CA--C 1.525 0.672 0 N-CA-C 111.701 -0.56 . . . . 0.0 111.701 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 17.0 pt20 -58.49 148.3 28.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 117.572 0.686 . . . . 0.0 111.119 -179.545 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 136' ' ' VAL . . . . . 0.617 HG21 ' HB1' ' A' ' 128' ' ' ALA . 1.8 t -128.26 134.58 64.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.153 -179.546 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 137' ' ' ASN . . . . . 0.438 ' OD1' ' O ' ' A' ' 137' ' ' ASN . 37.0 p-10 -93.17 114.69 27.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.861 179.244 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 46.6 p90 -65.07 -9.24 20.77 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 112.196 0.443 . . . . 0.0 112.196 -178.732 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 52.9 tp10 -59.53 -49.86 76.13 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 120.198 -0.601 . . . . 0.0 110.463 -179.182 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 140' ' ' GLU . . . . . 0.408 ' HG2' HD21 ' A' ' 137' ' ' ASN . 76.9 mm-40 -60.34 -38.37 83.58 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 120.627 0.251 . . . . 0.0 111.049 -179.081 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 141' ' ' PHE . . . . . 0.434 ' CE1' ' CE ' ' A' ' 144' ' ' MET . 2.1 m-85 -61.3 -43.5 98.76 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 120.514 -0.474 . . . . 0.0 109.869 178.712 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 53.7 t -64.72 -45.39 95.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.637 178.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 53.6 mt-30 -63.08 -41.69 99.47 Favored 'General case' 0 CA--C 1.521 -0.157 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 179.019 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 144' ' ' MET . . . . . 0.434 ' CE ' ' CE1' ' A' ' 141' ' ' PHE . 2.6 ttp -60.73 -46.54 90.04 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.328 -0.851 . . . . 0.0 109.11 178.358 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 8.8 mtm . . . . . 0 C--N 1.324 -0.509 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.783 179.933 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.432 0.158 . . . . 0.0 111.109 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.4 120.93 56.25 Favored Pre-proline 0 CA--C 1.54 0.591 0 C-N-CA 120.594 -0.442 . . . . 0.0 110.494 -179.674 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_exo -51.92 -33.57 52.35 Favored 'Trans proline' 0 N--CA 1.5 1.872 0 C-N-CA 122.023 1.816 . . . . 0.0 112.45 178.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -60.77 -38.41 85.18 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.964 -179.322 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 39' ' ' THR . . . . . 0.465 HG23 HG11 ' A' ' 91' ' ' VAL . 98.3 m -60.22 -45.86 91.76 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 120.885 -0.326 . . . . 0.0 110.621 -179.768 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 15.9 tm-20 -62.49 -42.2 99.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.367 -0.378 . . . . 0.0 110.443 179.801 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 31.9 mmt180 -63.07 -38.61 91.89 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.541 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -60.32 -39.1 85.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.38 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -60.65 -40.02 90.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.21 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 59.6 t -61.97 -44.1 98.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.443 -179.56 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -60.38 -45.68 92.68 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.739 -0.384 . . . . 0.0 111.253 -179.155 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 91.5 mt -65.31 -45.09 94.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-O 120.963 0.411 . . . . 0.0 111.054 179.749 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 47' ' ' GLN . . . . . 0.524 ' NE2' ' O ' ' A' ' 113' ' ' GLY . 93.6 mt-30 -63.06 -41.06 99.38 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.36 -179.604 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 74.7 m -61.96 -41.95 98.56 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 120.649 -0.42 . . . . 0.0 110.014 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 73.0 mm-40 -65.98 -39.4 90.33 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.684 179.615 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 50' ' ' PHE . . . . . 0.597 ' CD1' ' SD ' ' A' ' 124' ' ' MET . 39.3 t80 -59.88 -48.24 82.51 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 120.681 -0.408 . . . . 0.0 110.389 179.761 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 43.8 ttm180 -61.36 -41.36 96.95 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.048 0.451 . . . . 0.0 109.795 179.188 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 27.5 tptp -60.94 -38.41 85.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.395 179.786 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 53' ' ' PHE . . . . . . . . . . . . . 51.3 t80 -56.5 -45.74 80.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.551 -179.26 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 29.9 mm100 -61.63 -40.12 93.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.517 -179.545 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 68.4 mttm . . . . . 0 C--N 1.33 -0.279 0 CA-C-O 120.764 0.316 . . . . 0.0 110.665 179.789 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 71.0 m . . . . . 0 CA--C 1.521 -0.144 0 CA-C-O 120.611 0.243 . . . . 0.0 111.055 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -57.54 -39.55 76.88 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.405 -0.518 . . . . 0.0 109.721 -179.209 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -64.52 -39.56 93.99 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.73 179.086 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -62.88 -44.95 94.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.191 -179.616 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 4.8 mm -67.45 -43.12 87.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.81 0.338 . . . . 0.0 110.544 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -60.46 -36.29 77.9 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.968 -179.804 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -55.06 -41.23 71.23 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.025 -0.731 . . . . 0.0 109.025 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -59.45 -35.86 74.86 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.752 179.588 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 82.7 m-85 -80.06 -41.24 26.03 Favored 'General case' 0 C--N 1.332 -0.161 0 C-N-CA 120.662 -0.415 . . . . 0.0 110.338 178.653 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -49.85 -26.97 4.51 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.441 -178.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 53.9 t -61.81 -40.25 86.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 N-CA-C 110.075 -0.343 . . . . 0.0 110.075 178.525 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -83.9 -24.92 30.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.706 -179.709 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 65.9 t0 -91.71 84.64 5.47 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 178.569 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 5.2 ttmt -86.38 -18.33 32.11 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.645 -179.185 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 70.8 m-20 -81.84 -25.94 34.7 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.72 -0.392 . . . . 0.0 110.075 179.051 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 70.69 29.76 69.2 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.842 -0.903 . . . . 0.0 110.842 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 17.2 t-20 -92.71 -5.97 50.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.617 0.246 . . . . 0.0 110.88 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' GLY . . . . . 0.417 ' C ' ' CD1' ' A' ' 99' ' ' TYR . . . 94.28 9.42 59.23 Favored Glycine 0 CA--C 1.529 0.928 0 N-CA-C 111.325 -0.71 . . . . 0.0 111.325 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.424 ' CD1' ' N ' ' A' ' 99' ' ' TYR . 32.9 m-85 -137.53 158.3 44.69 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.133 0.492 . . . . 0.0 111.919 -179.653 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 3.3 pt -130.04 145.6 35.39 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.159 0 N-CA-C 107.485 -1.302 . . . . 0.0 107.485 178.033 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 66.8 m -63.93 136.48 57.39 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 119.809 -0.756 . . . . 0.0 110.693 -179.566 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.567 ' HB2' HG23 ' A' ' 136' ' ' VAL . . . -64.27 -38.47 91.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.949 -179.823 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -59.64 -40.63 88.3 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.951 -177.918 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.565 ' O ' HG23 ' A' ' 108' ' ' VAL . 4.5 pt-20 -70.22 -27.88 64.83 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 120.45 -0.5 . . . . 0.0 110.49 -179.259 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 24.2 tp -61.28 -50.41 73.13 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 106' ' ' ARG . . . . . 0.794 ' CZ ' HG11 ' A' ' 121' ' ' VAL . 8.2 tpp180 -55.33 -51.37 66.96 Favored 'General case' 0 N--CA 1.462 0.152 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.181 -179.883 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 107' ' ' HIS . . . . . 0.582 ' CE1' ' ND2' ' A' ' 111' ' ' ASN . 82.3 t60 -61.87 -47.06 86.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.096 0.474 . . . . 0.0 111.611 179.751 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.565 HG23 ' O ' ' A' ' 104' ' ' GLU . 53.1 t -62.2 -39.86 85.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 115.629 -0.714 . . . . 0.0 112.096 -178.868 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -75.1 -25.19 58.32 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.659 -179.522 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 110' ' ' THR . . . . . 0.463 ' CG2' HG21 ' A' ' 121' ' ' VAL . 72.9 p -106.01 -16.94 14.49 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 120.679 -0.408 . . . . 0.0 111.851 -178.647 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 111' ' ' ASN . . . . . 0.582 ' ND2' ' CE1' ' A' ' 107' ' ' HIS . 59.4 t30 -106.6 -37.19 6.52 Favored 'General case' 0 CA--C 1.533 0.312 0 N-CA-C 112.38 0.511 . . . . 0.0 112.38 -178.765 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.452 ' O ' ' O ' ' A' ' 113' ' ' GLY . 83.9 mt -108.69 140.57 41.91 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-O 120.961 0.41 . . . . 0.0 111.673 -178.698 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 113' ' ' GLY . . . . . 0.547 ' O ' ' C ' ' A' ' 114' ' ' GLU . . . 57.04 124.23 0.01 OUTLIER Glycine 0 CA--C 1.524 0.605 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.475 179.162 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 114' ' ' GLU . . . . . 0.547 ' C ' ' O ' ' A' ' 113' ' ' GLY . 43.8 mp0 14.19 88.52 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.658 0 O-C-N 124.054 0.502 . . . . 0.0 110.917 179.481 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 62.6 mttp -47.16 131.46 12.79 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 120.974 0.416 . . . . 0.0 111.556 -177.244 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.634 HD12 ' HB3' ' A' ' 120' ' ' GLU . 4.2 mm? -89.69 156.88 18.26 Favored 'General case' 0 N--CA 1.462 0.142 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 178.869 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 117' ' ' THR . . . . . 0.414 ' O ' HG23 ' A' ' 121' ' ' VAL . 64.3 p -88.01 166.97 14.09 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 109.883 -0.414 . . . . 0.0 109.883 179.085 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -59.88 -39.78 86.42 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 120.726 -0.39 . . . . 0.0 110.691 -179.52 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -63.03 -41.06 99.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.903 0.382 . . . . 0.0 110.016 179.753 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 120' ' ' GLU . . . . . 0.634 ' HB3' HD12 ' A' ' 116' ' ' LEU . 52.3 mt-10 -69.73 -40.01 76.47 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.264 179.07 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.794 HG11 ' CZ ' ' A' ' 106' ' ' ARG . 56.1 t -63.18 -41.93 94.61 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 116.052 -0.522 . . . . 0.0 109.792 178.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 68.1 t0 -59.65 -42.59 93.14 Favored 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 120.548 -0.461 . . . . 0.0 110.305 -179.299 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 -61.94 -40.17 94.6 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.452 0.644 . . . . 0.0 109.46 179.163 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 124' ' ' MET . . . . . 0.596 ' SD ' ' CD1' ' B' ' 50' ' ' PHE . 46.3 mmm -64.66 -41.06 96.36 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.041 -0.981 . . . . 0.0 109.889 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 125' ' ' ILE . . . . . 0.513 HD13 HG12 ' A' ' 121' ' ' VAL . 0.9 OUTLIER -65.5 -37.24 79.55 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.167 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.541 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 17.6 tpp180 -60.14 -34.18 73.18 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.282 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 127' ' ' GLU . . . . . 0.448 ' CD ' ' SD ' ' A' ' 144' ' ' MET . 64.9 mt-10 -96.34 -2.85 44.93 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.911 179.699 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -86.22 -78.1 0.29 Allowed 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 111.946 0.35 . . . . 0.0 111.946 -179.076 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 129' ' ' ASP . . . . . 0.505 ' CG ' ' N ' ' A' ' 130' ' ' ILE . 63.9 t0 176.05 -113.6 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.472 0 O-C-N 123.644 0.59 . . . . 0.0 111.062 -179.645 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 130' ' ' ILE . . . . . 0.505 ' N ' ' CG ' ' A' ' 129' ' ' ASP . 67.6 mt . . . . . 0 N--CA 1.455 -0.182 0 CA-C-N 115.048 -0.978 . . . . 0.0 111.257 -179.432 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.746 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 8.6 mm100 -117.3 166.74 11.93 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-O 120.642 0.258 . . . . 0.0 110.381 -179.8 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 136' ' ' VAL . . . . . 0.567 HG23 ' HB2' ' A' ' 102' ' ' ALA . 25.6 t -134.95 132.01 53.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.35 179.808 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 137' ' ' ASN . . . . . 0.444 ' OD1' ' O ' ' A' ' 137' ' ' ASN . 36.0 p-10 -95.89 110.62 22.78 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.742 -0.383 . . . . 0.0 110.106 179.191 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 36.4 p90 -61.83 -10.12 8.36 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 112.065 0.395 . . . . 0.0 112.065 -178.748 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -59.43 -49.24 78.55 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 119.986 -0.686 . . . . 0.0 110.61 -179.043 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -60.48 -41.33 93.99 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.673 0.273 . . . . 0.0 110.983 -179.324 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -60.79 -45.43 94.43 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 120.58 -0.448 . . . . 0.0 110.149 179.512 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 52.9 t -64.59 -40.85 90.48 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.691 179.341 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 11.2 tp-100 -58.1 -43.63 87.24 Favored 'General case' 0 N--CA 1.455 -0.189 0 C-N-CA 120.233 -0.587 . . . . 0.0 109.447 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 144' ' ' MET . . . . . 0.448 ' SD ' ' CD ' ' A' ' 127' ' ' GLU . 73.4 mtm -59.8 -40.15 87.38 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 179.535 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 67.7 mtt . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 115.868 -0.606 . . . . 0.0 111.974 -179.678 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 36.9 t70 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.599 0.238 . . . . 0.0 110.772 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -59.93 123.19 70.87 Favored Pre-proline 0 CA--C 1.54 0.589 0 C-N-CA 120.655 -0.418 . . . . 0.0 110.375 -179.613 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_exo -51.86 -30.74 39.82 Favored 'Trans proline' 0 N--CA 1.5 1.883 0 C-N-CA 121.84 1.693 . . . . 0.0 112.709 179.138 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -60.7 -40.09 90.94 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.154 -178.819 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 98.1 m -61.93 -46.34 89.75 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.443 -0.503 . . . . 0.0 110.525 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -63.54 -41.72 98.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.254 179.767 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 34.6 mmt180 -65.42 -38.73 90.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.315 179.666 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -60.76 -40.68 93.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.25 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -61.73 -39.93 93.28 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.177 179.701 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 66.4 t -61.74 -45.61 98.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.6 -179.35 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -61.03 -46.6 90.06 Favored 'General case' 0 C--N 1.332 -0.193 0 C-N-CA 120.776 -0.37 . . . . 0.0 111.367 -178.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 90.4 mt -64.18 -46.19 94.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 121.012 0.434 . . . . 0.0 110.543 179.685 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 47' ' ' GLN . . . . . 0.523 ' NE2' ' O ' ' A' ' 113' ' ' GLY . 94.4 mt-30 -64.76 -41.14 96.12 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.055 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 75.8 m -62.47 -42.43 99.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.981 0.42 . . . . 0.0 110.356 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -68.29 -37.64 80.87 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.938 -0.573 . . . . 0.0 110.987 179.622 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 50' ' ' PHE . . . . . 0.596 ' CD1' ' SD ' ' A' ' 124' ' ' MET . 37.2 t80 -59.79 -48.09 83.08 Favored 'General case' 0 C--N 1.331 -0.205 0 C-N-CA 120.948 -0.301 . . . . 0.0 111.146 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 91.8 mtm180 -61.67 -40.89 96.54 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.493 -0.483 . . . . 0.0 110.495 -179.78 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -62.9 -38.87 92.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.048 0.451 . . . . 0.0 110.202 179.303 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 53' ' ' PHE . . . . . . . . . . . . . 85.3 t80 -59.25 -47.41 85.44 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.436 -179.724 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -62.58 -40.72 97.77 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.522 -179.659 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 68.4 mttm . . . . . 0 C--N 1.33 -0.24 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.732 179.863 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 85.6 p . . . . . 0 CA--C 1.521 -0.137 0 CA-C-O 120.78 0.324 . . . . 0.0 110.848 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 61.1 mp0 -56.44 -36.55 69.14 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.23 -0.656 . . . . 0.0 109.23 -179.212 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 21.5 pt-20 -66.17 -32.75 74.38 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.825 179.474 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -61.36 -46.24 91.05 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-O 120.922 0.391 . . . . 0.0 111.074 -178.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 4.2 mm -70.2 -33.14 53.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 116.168 -0.469 . . . . 0.0 109.912 178.905 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 42.5 ttm180 -61.41 -38.81 88.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.803 179.497 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -58.67 -38.81 78.99 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.168 -179.564 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.451 ' HB1' ' HB1' ' B' ' 42' ' ' ALA . . . -60.44 -33.44 72.54 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.609 179.336 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 54.2 m-85 -74.94 -40.23 60.91 Favored 'General case' 0 CA--C 1.528 0.124 0 C-N-CA 120.526 -0.47 . . . . 0.0 110.103 177.886 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -44.59 -29.33 0.72 Allowed 'General case' 0 CA--C 1.52 -0.195 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.217 -179.627 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 55.8 t -60.4 -39.79 82.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.508 179.514 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 18.1 m-85 -89.02 -27.15 21.04 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.795 -0.362 . . . . 0.0 110.861 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 64.8 t0 -88.04 72.27 9.23 Favored 'General case' 0 C--N 1.332 -0.159 0 N-CA-C 109.557 -0.535 . . . . 0.0 109.557 178.914 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 65.3 pttt -68.77 -19.9 64.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.958 -179.34 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -83.8 -25.39 30.45 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.716 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 68.46 32.47 75.34 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.288 -1.125 . . . . 0.0 110.288 -179.531 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 57.8 t30 -94.38 -3.91 49.44 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.691 0.282 . . . . 0.0 110.824 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 94.26 5.72 61.91 Favored Glycine 0 CA--C 1.528 0.878 0 N-CA-C 111.422 -0.671 . . . . 0.0 111.422 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.455 ' CD1' ' N ' ' A' ' 99' ' ' TYR . 21.8 m-85 -136.24 158.59 44.06 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.766 0.317 . . . . 0.0 110.902 -179.871 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.411 HD13 HG21 ' A' ' 100' ' ' ILE . 0.2 OUTLIER -131.23 149.59 33.49 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.165 0 N-CA-C 107.434 -1.321 . . . . 0.0 107.434 177.481 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 68.8 m -60.43 134.03 56.67 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 119.911 -0.715 . . . . 0.0 110.412 -179.061 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.639 ' HB2' HG23 ' A' ' 136' ' ' VAL . . . -65.75 -38.0 87.91 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.491 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -60.5 -42.01 95.46 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 112.521 0.563 . . . . 0.0 112.521 -178.115 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.717 ' O ' HG23 ' A' ' 108' ' ' VAL . 6.4 pt-20 -69.26 -29.08 66.9 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.447 -0.501 . . . . 0.0 110.569 -178.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 2.5 tt -61.05 -47.89 84.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 109.853 179.742 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.74 -49.96 73.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.139 -179.296 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 107' ' ' HIS . . . . . 0.496 ' O ' ' N ' ' A' ' 111' ' ' ASN . 86.5 t60 -61.57 -44.28 97.31 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.264 0.554 . . . . 0.0 110.229 179.515 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.717 HG23 ' O ' ' A' ' 104' ' ' GLU . 64.4 t -61.39 -39.84 84.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.35 -0.841 . . . . 0.0 110.2 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 109' ' ' MET . . . . . 0.47 ' N ' ' SD ' ' A' ' 109' ' ' MET . 0.0 OUTLIER -74.52 -25.07 59.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.857 -179.702 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 73.3 p -105.48 -17.21 14.5 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 112.294 0.479 . . . . 0.0 112.294 -178.468 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 111' ' ' ASN . . . . . 0.496 ' N ' ' O ' ' A' ' 107' ' ' HIS . 63.5 t30 -113.03 -50.39 2.88 Favored 'General case' 0 N--CA 1.469 0.495 0 N-CA-C 112.981 0.734 . . . . 0.0 112.981 -178.375 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.543 HD12 HG22 ' A' ' 108' ' ' VAL . 83.3 mt -86.83 155.28 20.35 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.777 0.322 . . . . 0.0 111.404 -178.394 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 62.24 -111.02 3.62 Favored Glycine 0 CA--C 1.521 0.438 0 C-N-CA 121.035 -0.602 . . . . 0.0 111.605 178.848 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 114' ' ' GLU . . . . . 0.542 ' CB ' HH22 ' B' ' 51' ' ' ARG . 79.5 mm-40 -99.41 166.54 11.13 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.419 -0.585 . . . . 0.0 109.419 178.918 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 46.1 mtpt -109.41 104.98 14.16 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.049 0.452 . . . . 0.0 109.782 178.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.557 HD12 ' HB3' ' A' ' 120' ' ' GLU . 4.3 mm? -86.3 151.36 23.66 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 108.677 -0.861 . . . . 0.0 108.677 179.187 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 117' ' ' THR . . . . . 0.442 ' OG1' ' OE1' ' A' ' 120' ' ' GLU . 69.1 p -87.78 169.93 11.65 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 120.661 -0.415 . . . . 0.0 109.979 179.39 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 118' ' ' ASP . . . . . 0.536 ' OD1' ' N ' ' A' ' 119' ' ' GLU . 40.7 p-10 -56.76 -40.95 76.76 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 120.674 -0.41 . . . . 0.0 110.537 -179.746 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 119' ' ' GLU . . . . . 0.536 ' N ' ' OD1' ' A' ' 118' ' ' ASP . 98.7 mt-10 -62.59 -41.26 98.85 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.622 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 120' ' ' GLU . . . . . 0.557 ' HB3' HD12 ' A' ' 116' ' ' LEU . 0.5 OUTLIER -71.42 -41.43 69.53 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.919 0.39 . . . . 0.0 110.946 178.649 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 53.3 t -63.74 -42.33 95.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.12 179.766 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -60.55 -40.19 90.71 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.6 -0.44 . . . . 0.0 109.844 179.754 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -62.04 -40.77 96.86 Favored 'General case' 0 CA--C 1.518 -0.264 0 CA-C-O 121.441 0.638 . . . . 0.0 109.629 178.464 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 124' ' ' MET . . . . . 0.603 ' SD ' ' CG ' ' B' ' 50' ' ' PHE . 46.0 mmm -64.67 -41.6 95.97 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 114.899 -1.046 . . . . 0.0 110.147 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 1.2 mp -65.33 -37.68 80.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.762 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 42.8 ttm180 -60.12 -33.15 71.73 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.076 0.465 . . . . 0.0 110.045 179.315 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 57.8 mt-10 -95.67 -11.36 27.26 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.969 179.419 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 0.444 ' O ' ' CB ' ' A' ' 129' ' ' ASP . . . -78.18 -67.69 0.71 Allowed 'General case' 0 N--CA 1.463 0.222 0 C-N-CA 120.881 -0.328 . . . . 0.0 111.364 -179.384 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 129' ' ' ASP . . . . . 0.522 ' OD2' ' ND2' ' A' ' 137' ' ' ASN . 1.2 m-20 163.78 -90.41 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.466 0 CA-C-O 121.12 0.486 . . . . 0.0 112.005 179.861 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 61.0 mt . . . . . 0 C--N 1.327 -0.401 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.737 -177.651 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 N-CA-C 111.605 -0.598 . . . . 0.0 111.605 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -121.14 168.61 11.38 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 120.877 0.37 . . . . 0.0 110.863 -179.405 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 136' ' ' VAL . . . . . 0.639 HG23 ' HB2' ' A' ' 102' ' ' ALA . 44.9 t -134.3 133.31 55.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.668 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 137' ' ' ASN . . . . . 0.522 ' ND2' ' OD2' ' A' ' 129' ' ' ASP . 0.0 OUTLIER -94.48 106.53 18.51 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 178.598 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 38.9 p90 -62.17 -14.05 33.6 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.715 -0.394 . . . . 0.0 111.401 -179.13 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -58.8 -49.94 75.82 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.196 -0.602 . . . . 0.0 110.426 -179.287 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 53.0 tp10 -61.04 -42.55 98.69 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.923 -0.311 . . . . 0.0 110.417 -179.497 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -59.48 -48.4 81.78 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.532 -0.467 . . . . 0.0 109.759 179.115 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 75.2 t -63.03 -43.17 98.88 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 C-N-CA 120.73 -0.388 . . . . 0.0 110.274 179.763 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 10.9 tp-100 -60.98 -41.53 96.62 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 108.658 -0.867 . . . . 0.0 108.658 178.673 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 2.0 ttp -65.94 -49.49 67.74 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 115.133 -0.939 . . . . 0.0 110.509 178.871 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 66.2 mtt . . . . . 0 C--N 1.328 -0.338 0 N-CA-C 112.942 0.719 . . . . 0.0 112.942 -179.295 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 97.3 m-20 . . . . . 0 C--O 1.23 0.063 0 CA-C-O 120.773 0.321 . . . . 0.0 110.569 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -94.03 112.11 55.86 Favored Pre-proline 0 CA--C 1.539 0.554 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.901 -179.689 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 67.4 Cg_exo -52.4 -23.9 20.05 Favored 'Trans proline' 0 N--CA 1.497 1.719 0 C-N-CA 121.928 1.752 . . . . 0.0 111.976 178.866 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 60.9 mp0 -60.1 -37.98 81.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.353 -179.57 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 94.5 m -60.41 -41.17 93.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.101 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 66.4 mm-40 -60.66 -42.12 96.39 Favored 'General case' 0 C--N 1.331 -0.199 0 C-N-CA 120.866 -0.333 . . . . 0.0 110.416 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 33.4 mmt180 -64.12 -40.89 97.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.968 0.413 . . . . 0.0 110.171 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 42' ' ' ALA . . . . . 0.451 ' HB1' ' HB1' ' A' ' 88' ' ' ALA . . . -65.97 -43.66 87.22 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 120.358 -0.537 . . . . 0.0 110.242 179.33 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.91 -40.71 87.75 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.537 -0.756 . . . . 0.0 112.369 -179.516 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -66.96 -37.6 79.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 C-N-CA 120.668 -0.413 . . . . 0.0 111.05 -178.232 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -63.57 -43.12 97.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.748 0.308 . . . . 0.0 111.151 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 96.7 mt -62.49 -46.52 96.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 121.238 0.542 . . . . 0.0 110.153 -179.716 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 47' ' ' GLN . . . . . 0.504 ' NE2' ' O ' ' A' ' 114' ' ' GLU . 81.2 mt-30 -63.35 -39.87 95.72 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.371 -0.832 . . . . 0.0 111.36 -179.753 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 94.2 p -63.46 -38.76 92.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.785 0.326 . . . . 0.0 110.755 -179.846 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 96.0 mm-40 -65.92 -38.47 88.77 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.456 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 50' ' ' PHE . . . . . 0.603 ' CG ' ' SD ' ' A' ' 124' ' ' MET . 30.9 t80 -58.56 -48.45 80.87 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 120.529 -0.468 . . . . 0.0 110.597 -179.356 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 51' ' ' ARG . . . . . 0.542 HH22 ' CB ' ' A' ' 114' ' ' GLU . 79.7 mtt85 -61.65 -40.19 94.03 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.797 -0.361 . . . . 0.0 110.62 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -64.26 -40.92 96.97 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.678 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 53' ' ' PHE . . . . . . . . . . . . . 73.3 t80 -60.03 -46.59 89.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.089 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 30.1 mm100 -62.0 -39.93 93.91 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.415 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 65.0 tttp . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.364 -179.844 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 85.2 p . . . . . 0 CA--C 1.522 -0.131 0 CA-C-O 120.982 0.42 . . . . 0.0 110.34 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -54.32 -39.49 67.09 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.124 -0.489 . . . . 0.0 109.781 -179.424 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 23.3 pt-20 -63.89 -36.16 83.03 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.588 179.442 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -62.41 -47.01 85.99 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.748 -179.44 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 4.9 mm -66.53 -39.08 83.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 121.242 0.544 . . . . 0.0 109.718 179.34 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 42.2 ttm180 -58.19 -39.32 78.64 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.17 -0.923 . . . . 0.0 110.922 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -57.73 -40.1 78.82 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 -179.785 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.55 -38.86 89.02 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.142 179.6 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 54.4 m-85 -73.95 -42.45 60.5 Favored 'General case' 0 C--N 1.332 -0.161 0 C-N-CA 120.576 -0.45 . . . . 0.0 110.693 178.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 93.9 mtt-85 -49.24 -24.57 1.83 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.595 -178.636 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 56.3 t -62.53 -39.74 85.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.573 178.935 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 37.6 m-85 -82.12 -18.68 42.08 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 120.881 -0.328 . . . . 0.0 110.694 -179.782 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.448 ' OD1' ' OD1' ' A' ' 95' ' ' ASP . 64.6 t0 -96.49 97.09 9.14 Favored 'General case' 0 CA--C 1.53 0.211 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 179.379 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 64.8 pttt -79.26 -20.82 47.17 Favored 'General case' 0 N--CA 1.463 0.18 0 N-CA-C 113.574 0.953 . . . . 0.0 113.574 -178.407 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' ASP . . . . . 0.448 ' OD1' ' OD1' ' A' ' 93' ' ' ASP . 54.5 p30 -104.91 5.72 33.1 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.199 0.524 . . . . 0.0 110.322 179.67 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 43.84 43.03 6.59 Favored Glycine 0 CA--C 1.526 0.777 0 N-CA-C 109.923 -1.271 . . . . 0.0 109.923 179.411 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 63.2 t30 -90.12 -1.86 58.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.87 0.367 . . . . 0.0 110.835 -179.444 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 94.26 5.44 62.1 Favored Glycine 0 CA--C 1.525 0.712 0 C-N-CA 120.97 -0.633 . . . . 0.0 111.676 179.755 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.466 ' CD1' ' N ' ' A' ' 99' ' ' TYR . 14.0 m-85 -137.37 158.25 44.82 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-N 117.036 0.418 . . . . 0.0 110.577 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.409 HG21 HD13 ' A' ' 100' ' ' ILE . 0.4 OUTLIER -131.88 152.93 37.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 N-CA-C 107.688 -1.227 . . . . 0.0 107.688 177.908 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 42.2 t -63.61 127.05 29.62 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 119.759 -0.776 . . . . 0.0 110.298 -179.589 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.504 ' HB2' HG23 ' A' ' 136' ' ' VAL . . . -61.28 -35.58 77.69 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.03 -179.614 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -58.68 -49.86 76.01 Favored 'General case' 0 CA--C 1.533 0.291 0 N-CA-C 112.115 0.413 . . . . 0.0 112.115 -178.125 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.569 ' O ' HG23 ' A' ' 108' ' ' VAL . 5.6 pt-20 -61.59 -27.65 68.79 Favored 'General case' 0 C--N 1.332 -0.159 0 C-N-CA 120.204 -0.599 . . . . 0.0 110.741 -178.723 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 14.2 tp -60.96 -51.19 70.29 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.198 -0.667 . . . . 0.0 109.198 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 106' ' ' ARG . . . . . 0.567 ' HD3' HG11 ' A' ' 121' ' ' VAL . 15.1 tpt180 -55.1 -51.81 65.23 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.826 -179.734 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 107' ' ' HIS . . . . . 0.401 ' O ' ' CB ' ' A' ' 111' ' ' ASN . 73.4 t60 -62.6 -48.68 78.37 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.9 0.381 . . . . 0.0 111.798 179.419 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.569 HG23 ' O ' ' A' ' 104' ' ' GLU . 59.1 t -61.64 -43.22 96.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.807 -0.633 . . . . 0.0 112.63 -178.412 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.62 -30.12 70.32 Favored 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 120.933 -0.307 . . . . 0.0 111.709 -179.279 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 110' ' ' THR . . . . . 0.608 ' CG2' HG21 ' A' ' 121' ' ' VAL . 49.4 p -104.51 -6.73 20.33 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 120.65 -0.42 . . . . 0.0 112.022 -178.552 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 111' ' ' ASN . . . . . 0.401 ' CB ' ' O ' ' A' ' 107' ' ' HIS . 28.6 t-20 -107.72 -45.57 3.99 Favored 'General case' 0 N--CA 1.464 0.262 0 C-N-CA 120.782 -0.367 . . . . 0.0 111.486 -179.667 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 68.1 mt -105.91 -178.77 3.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.47 0.652 . . . . 0.0 111.622 -178.836 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 63.6 -124.41 31.15 Favored Glycine 0 CA--C 1.526 0.748 0 CA-C-N 114.854 -1.066 . . . . 0.0 112.83 178.922 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 114' ' ' GLU . . . . . 0.496 ' N ' ' OE1' ' B' ' 47' ' ' GLN . 99.5 mt-10 -98.71 17.91 18.15 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.499 -0.351 . . . . 0.0 111.523 -178.674 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.473 ' O ' ' O ' ' A' ' 114' ' ' GLU . 50.9 mttp 44.69 104.21 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.949 -0.568 . . . . 0.0 111.348 179.207 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.633 HD12 ' HB3' ' A' ' 120' ' ' GLU . 4.5 mm? -96.59 155.78 16.62 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.07 -0.513 . . . . 0.0 109.99 179.145 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 117' ' ' THR . . . . . 0.435 ' OG1' ' OE1' ' A' ' 120' ' ' GLU . 70.2 p -93.03 170.62 9.51 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 178.764 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -59.22 -39.89 84.11 Favored 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 120.736 -0.386 . . . . 0.0 110.974 -179.181 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 75.6 mm-40 -62.22 -43.53 98.63 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 120.499 -0.48 . . . . 0.0 110.892 -179.733 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 120' ' ' GLU . . . . . 0.633 ' HB3' HD12 ' A' ' 116' ' ' LEU . 1.0 OUTLIER -68.31 -42.08 79.91 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.806 0.336 . . . . 0.0 111.002 179.278 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.608 HG21 ' CG2' ' A' ' 110' ' ' THR . 70.6 t -63.87 -45.79 96.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.456 . . . . 0.0 109.971 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -54.59 -38.14 66.36 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 120.175 -0.61 . . . . 0.0 109.881 -178.263 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 75.4 mm-40 -61.91 -38.76 89.6 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.195 -0.669 . . . . 0.0 109.195 178.363 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 124' ' ' MET . . . . . 0.611 ' SD ' ' CD1' ' B' ' 50' ' ' PHE . 26.1 mmm -69.39 -40.34 77.45 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.352 -0.84 . . . . 0.0 111.097 179.86 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 125' ' ' ILE . . . . . 0.606 HD13 HG12 ' A' ' 121' ' ' VAL . 1.3 mp -61.7 -42.13 93.13 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.246 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.034 -179.345 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 44.1 ttm180 -60.9 -31.58 71.08 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.045 0.45 . . . . 0.0 110.064 179.638 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -96.7 1.84 51.43 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.768 179.306 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -92.38 -83.94 0.29 Allowed 'General case' 0 CA--C 1.532 0.274 0 N-CA-C 112.037 0.384 . . . . 0.0 112.037 -178.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 129' ' ' ASP . . . . . 0.463 ' CG ' ' N ' ' A' ' 130' ' ' ILE . 29.0 t70 -179.74 -104.52 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.418 0 CA-C-O 121.299 0.571 . . . . 0.0 111.589 -179.461 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 130' ' ' ILE . . . . . 0.659 ' O ' HG22 ' A' ' 130' ' ' ILE . 73.4 mt . . . . . 0 N--CA 1.454 -0.239 0 CA-C-N 115.184 -0.916 . . . . 0.0 111.022 -179.247 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.921 0 N-CA-C 112.141 -0.384 . . . . 0.0 112.141 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -116.96 157.27 26.03 Favored 'General case' 0 N--CA 1.465 0.323 0 N-CA-C 109.876 -0.416 . . . . 0.0 109.876 178.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 136' ' ' VAL . . . . . 0.504 HG23 ' HB2' ' A' ' 102' ' ' ALA . 25.7 t -131.88 130.95 61.86 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.142 0 CA-C-O 120.87 0.367 . . . . 0.0 111.852 -179.695 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 137' ' ' ASN . . . . . 0.498 ' O ' ' ND2' ' A' ' 137' ' ' ASN . 0.4 OUTLIER -86.28 107.59 18.02 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.387 -0.597 . . . . 0.0 109.387 178.625 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 41.1 p90 -64.89 -10.14 26.42 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 120.523 -0.471 . . . . 0.0 112.174 -178.42 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -60.14 -49.56 77.15 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 119.929 -0.708 . . . . 0.0 110.855 -179.304 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 52.6 tp10 -61.69 -43.25 99.22 Favored 'General case' 0 N--CA 1.464 0.244 0 C-N-CA 121.092 -0.243 . . . . 0.0 111.075 -179.129 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -59.05 -45.02 91.82 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 110.043 -0.354 . . . . 0.0 110.043 179.466 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 53.9 t -64.79 -44.23 96.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.335 179.107 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 11.0 tp-100 -61.87 -41.37 97.78 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 108.805 -0.813 . . . . 0.0 108.805 178.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 2.6 ttt -65.36 -49.71 68.33 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.083 -0.962 . . . . 0.0 109.983 178.55 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.621 -0.263 . . . . 0.0 110.936 179.834 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 66.9 t0 . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.442 0.163 . . . . 0.0 110.946 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.5 137.37 92.41 Favored Pre-proline 0 CA--C 1.536 0.428 0 C-N-CA 120.523 -0.471 . . . . 0.0 109.776 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -69.0 -22.0 36.23 Favored 'Trans proline' 0 N--CA 1.494 1.517 0 C-N-CA 122.168 1.912 . . . . 0.0 112.872 -179.153 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -62.5 -41.61 98.94 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.04 -179.511 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 91.8 m -64.81 -45.21 87.18 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.727 -0.389 . . . . 0.0 110.623 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -63.55 -40.95 98.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.443 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 18.0 mmm180 -63.94 -40.46 96.5 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.275 179.765 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -62.31 -39.99 94.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.428 179.733 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -61.31 -39.82 91.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.456 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 55.4 t -61.62 -45.93 97.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.479 -179.616 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -61.07 -46.58 90.11 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.744 -0.382 . . . . 0.0 111.164 -179.095 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 93.6 mt -65.2 -47.21 88.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 C-N-CA 120.675 -0.41 . . . . 0.0 110.911 179.785 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 47' ' ' GLN . . . . . 0.496 ' OE1' ' N ' ' A' ' 114' ' ' GLU . 77.5 mt-30 -65.78 -40.58 92.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.312 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 48.3 t -62.12 -45.54 93.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.997 0.427 . . . . 0.0 110.677 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 96.9 mm-40 -64.86 -38.29 90.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.184 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 50' ' ' PHE . . . . . 0.611 ' CD1' ' SD ' ' A' ' 124' ' ' MET . 37.2 t80 -58.5 -48.28 81.33 Favored 'General case' 0 C--N 1.332 -0.188 0 C-N-CA 120.599 -0.44 . . . . 0.0 110.464 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -62.26 -39.71 93.81 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.067 0.46 . . . . 0.0 109.774 179.353 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 39.4 ttmt -65.76 -38.06 88.04 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.837 179.393 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 53' ' ' PHE . . . . . . . . . . . . . 67.9 t80 -57.52 -49.37 76.54 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.998 -178.328 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 12.3 pt20 -68.42 -34.77 76.59 Favored 'General case' 0 C--N 1.332 -0.185 0 C-N-CA 120.205 -0.598 . . . . 0.0 111.064 -179.577 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 62.3 mttp . . . . . 0 C--N 1.329 -0.283 0 C-N-CA 120.788 -0.365 . . . . 0.0 110.576 179.016 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 66.2 m . . . . . 0 N--CA 1.462 0.139 0 CA-C-O 120.779 0.323 . . . . 0.0 110.831 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -55.87 -36.75 67.94 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 -179.012 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 23.2 pt-20 -67.77 -26.29 66.04 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.306 -0.861 . . . . 0.0 111.327 179.613 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -61.85 -46.2 90.48 Favored 'General case' 0 N--CA 1.463 0.223 0 C-N-CA 120.812 -0.355 . . . . 0.0 110.768 -178.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 2.1 mt -75.2 -26.02 18.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-O 121.152 0.501 . . . . 0.0 110.161 179.637 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 80.3 ttt180 -61.49 -43.01 99.63 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.398 -0.593 . . . . 0.0 109.398 178.917 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -59.92 -40.5 89.09 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.642 -0.708 . . . . 0.0 109.607 179.341 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.751 ' O ' HG12 ' A' ' 91' ' ' VAL . . . -60.96 -36.01 78.26 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.737 -0.665 . . . . 0.0 109.952 179.075 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.443 ' O ' ' OD1' ' A' ' 93' ' ' ASP . 33.2 m-85 -71.34 -42.69 68.22 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.503 -0.479 . . . . 0.0 110.264 178.575 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -44.08 -36.15 2.44 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.474 -178.903 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.751 HG12 ' O ' ' A' ' 88' ' ' ALA . 8.7 p -55.84 -30.82 28.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 C-N-CA 120.368 -0.533 . . . . 0.0 110.533 -179.448 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 40.2 m-85 -96.31 -29.89 13.73 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 179.764 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.564 ' N ' ' OD1' ' A' ' 93' ' ' ASP . 0.0 OUTLIER -86.59 62.69 7.56 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-O 121.437 0.637 . . . . 0.0 109.59 179.814 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 26.6 pttm -71.41 -20.7 62.09 Favored 'General case' 0 C--N 1.33 -0.271 0 O-C-N 121.919 -0.488 . . . . 0.0 111.532 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -75.08 -26.21 59.16 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.448 179.691 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 70.12 25.22 75.91 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.776 -0.93 . . . . 0.0 110.776 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 53.2 p-10 -92.3 -3.92 54.72 Favored 'General case' 0 C--N 1.331 -0.229 0 C-N-CA 120.903 -0.319 . . . . 0.0 110.962 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 95.04 -2.8 66.39 Favored Glycine 0 CA--C 1.531 1.04 0 C-N-CA 121.031 -0.604 . . . . 0.0 111.688 179.707 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.466 ' CD1' ' N ' ' A' ' 99' ' ' TYR . 10.9 m-85 -125.12 159.04 32.38 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 121.37 0.605 . . . . 0.0 111.823 -178.636 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.534 HG22 ' OD1' ' A' ' 93' ' ' ASP . 0.2 OUTLIER -129.51 143.22 41.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 N-CA-C 107.633 -1.247 . . . . 0.0 107.633 178.169 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 68.3 m -61.32 134.03 56.51 Favored 'General case' 0 C--N 1.323 -0.581 0 C-N-CA 119.484 -0.886 . . . . 0.0 109.933 -179.425 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.667 ' HB2' HG23 ' A' ' 136' ' ' VAL . . . -62.67 -38.65 91.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.952 0.406 . . . . 0.0 110.708 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -59.75 -40.78 89.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.754 -179.173 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -64.42 -39.86 94.66 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.677 -0.238 . . . . 0.0 110.866 179.431 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 51.0 tp -60.02 -47.12 87.16 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.652 -0.419 . . . . 0.0 110.17 -179.11 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 106' ' ' ARG . . . . . 0.531 ' O ' HG23 ' A' ' 110' ' ' THR . 6.2 tmm_? -58.29 -49.35 77.46 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.632 -0.427 . . . . 0.0 110.92 -178.826 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 75.3 t60 -60.29 -47.43 86.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.077 0.465 . . . . 0.0 111.124 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.449 HG22 HD12 ' A' ' 112' ' ' LEU . 55.7 t -60.62 -36.05 67.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-N 115.523 -0.762 . . . . 0.0 111.468 -179.681 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 109' ' ' MET . . . . . 0.485 ' N ' ' SD ' ' A' ' 109' ' ' MET . 0.0 OUTLIER -81.29 -20.94 39.77 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 111.962 0.356 . . . . 0.0 111.962 -179.361 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 110' ' ' THR . . . . . 0.531 HG23 ' O ' ' A' ' 106' ' ' ARG . 55.5 p -103.85 -22.29 13.53 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 120.288 -0.565 . . . . 0.0 110.973 -179.246 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 29.5 t-20 -108.98 -47.93 3.36 Favored 'General case' 0 N--CA 1.464 0.27 0 N-CA-C 112.502 0.556 . . . . 0.0 112.502 -178.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.481 ' O ' ' O ' ' A' ' 113' ' ' GLY . 90.6 mt -94.69 143.35 26.51 Favored 'General case' 0 N--CA 1.465 0.323 0 N-CA-C 112.411 0.523 . . . . 0.0 112.411 -178.121 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 113' ' ' GLY . . . . . 0.546 ' O ' ' C ' ' A' ' 114' ' ' GLU . . . 54.24 124.56 0.01 OUTLIER Glycine 0 CA--C 1.524 0.622 0 CA-C-N 115.035 -0.984 . . . . 0.0 111.699 178.831 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 114' ' ' GLU . . . . . 0.546 ' C ' ' O ' ' A' ' 113' ' ' GLY . 45.8 mp0 14.28 86.16 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.673 0 O-C-N 123.985 0.462 . . . . 0.0 111.134 179.211 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -47.52 132.53 13.61 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.177 0.513 . . . . 0.0 111.626 -177.643 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.652 HD12 ' HB3' ' A' ' 120' ' ' GLU . 4.3 mm? -91.01 159.0 16.37 Favored 'General case' 0 C--O 1.231 0.117 0 N-CA-C 108.238 -1.023 . . . . 0.0 108.238 177.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 117' ' ' THR . . . . . 0.453 ' OG1' ' OE1' ' A' ' 120' ' ' GLU . 72.3 p -93.4 172.07 8.51 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 120.512 -0.475 . . . . 0.0 110.114 179.416 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -59.06 -41.72 88.62 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.029 -179.332 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -62.81 -42.32 99.67 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.943 -0.303 . . . . 0.0 110.904 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 120' ' ' GLU . . . . . 0.652 ' HB3' HD12 ' A' ' 116' ' ' LEU . 0.7 OUTLIER -67.71 -46.88 70.95 Favored 'General case' 0 C--N 1.332 -0.192 0 C-N-CA 120.722 -0.391 . . . . 0.0 110.764 179.137 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.617 HG12 HD13 ' A' ' 125' ' ' ILE . 68.0 t -63.58 -42.52 96.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.104 -179.701 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -56.03 -39.37 71.85 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.006 -0.678 . . . . 0.0 109.476 -179.006 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 53.3 tp10 -63.23 -38.1 89.86 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.238 -0.652 . . . . 0.0 109.238 178.169 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 124' ' ' MET . . . . . 0.423 ' CG ' ' CZ ' ' B' ' 50' ' ' PHE . 96.1 mtp -70.08 -39.53 75.53 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.75 179.821 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 125' ' ' ILE . . . . . 0.617 HD13 HG12 ' A' ' 121' ' ' VAL . 1.2 mp -59.47 -38.48 75.42 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.138 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.654 -179.585 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 83.8 mtp180 -67.83 -26.61 66.14 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.866 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 -96.14 -11.32 26.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.873 179.69 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 0.664 ' HB1' HG21 ' A' ' 136' ' ' VAL . . . -77.68 -66.96 0.77 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.65 -178.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 129' ' ' ASP . . . . . 0.483 ' CG ' ' O ' ' A' ' 128' ' ' ALA . 13.0 m-20 155.76 -99.32 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.862 0 O-C-N 123.428 0.455 . . . . 0.0 110.774 179.797 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 62.2 mt . . . . . 0 C--N 1.332 -0.17 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.202 -179.208 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.56 0 N-CA-C 111.671 -0.572 . . . . 0.0 111.671 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 83.3 mm-40 -120.76 149.98 41.69 Favored 'General case' 0 CA--C 1.52 -0.193 0 N-CA-C 108.877 -0.786 . . . . 0.0 108.877 178.225 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 136' ' ' VAL . . . . . 0.667 HG23 ' HB2' ' A' ' 102' ' ' ALA . 43.0 t -127.98 134.77 64.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-O 121.13 0.491 . . . . 0.0 112.195 -178.917 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 137' ' ' ASN . . . . . 0.434 ' OD1' ' O ' ' A' ' 137' ' ' ASN . 35.3 p-10 -93.72 111.21 22.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.59 -0.732 . . . . 0.0 109.334 178.649 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 43.1 p90 -61.41 -10.97 8.53 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 120.495 -0.482 . . . . 0.0 112.032 -178.61 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -58.9 -50.19 74.97 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 119.794 -0.762 . . . . 0.0 110.123 -179.259 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 52.6 tp10 -60.4 -43.14 96.97 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 121.038 -0.265 . . . . 0.0 110.789 -179.371 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -60.66 -42.49 97.14 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 120.26 -0.576 . . . . 0.0 110.2 179.473 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 47.5 t -63.68 -40.84 90.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 C-N-CA 120.639 -0.424 . . . . 0.0 110.477 178.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -62.3 -40.27 95.74 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.47 -0.566 . . . . 0.0 109.47 179.215 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 71.2 mtp -59.71 -44.19 93.82 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 178.91 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 55.8 mtt . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 115.356 -0.838 . . . . 0.0 111.864 -179.586 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 55.1 p30 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.61 0.243 . . . . 0.0 111.309 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -89.05 116.91 67.6 Favored Pre-proline 0 CA--C 1.539 0.536 0 C-N-CA 120.785 -0.366 . . . . 0.0 110.202 179.565 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 82.6 Cg_exo -50.01 -28.67 19.54 Favored 'Trans proline' 0 N--CA 1.497 1.707 0 C-N-CA 121.723 1.615 . . . . 0.0 112.107 179.274 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -60.99 -39.87 91.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.667 -179.501 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 92.6 m -63.34 -42.15 98.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.822 0.344 . . . . 0.0 110.219 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 53.9 tp10 -60.64 -43.47 97.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 109.978 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 18.1 mmm180 -62.73 -40.69 97.98 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.781 -0.368 . . . . 0.0 110.072 179.729 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -62.45 -40.93 98.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.343 179.571 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -61.81 -41.92 98.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.467 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 44' ' ' VAL . . . . . 0.468 HG22 ' OE1' ' A' ' 114' ' ' GLU . 61.0 t -63.89 -45.25 97.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.817 -179.441 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -60.75 -43.67 97.66 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.919 -0.313 . . . . 0.0 111.44 -178.741 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 46' ' ' ILE . . . . . 0.439 HG21 ' CE ' ' A' ' 109' ' ' MET . 91.9 mt -63.0 -47.03 94.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-O 121.004 0.43 . . . . 0.0 110.621 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 47' ' ' GLN . . . . . 0.517 ' NE2' ' O ' ' A' ' 113' ' ' GLY . 84.5 mt-30 -65.13 -40.39 94.37 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.791 -0.641 . . . . 0.0 111.465 -179.4 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 48.4 t -60.7 -46.4 90.53 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.501 -179.366 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -65.55 -38.63 90.15 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.67 -0.493 . . . . 0.0 109.67 179.38 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 50' ' ' PHE . . . . . 0.566 ' CE2' ' NE2' ' B' ' 54' ' ' GLN . 53.0 t80 -60.28 -39.71 87.85 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.714 179.877 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 44.6 ttm180 -58.51 -42.34 87.46 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 110.088 -0.338 . . . . 0.0 110.088 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 40.2 ttmt -60.84 -39.7 90.05 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.024 0.44 . . . . 0.0 110.032 179.478 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 53' ' ' PHE . . . . . . . . . . . . . 55.2 t80 -59.59 -38.97 82.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.648 -179.74 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 54' ' ' GLN . . . . . 0.566 ' NE2' ' CE2' ' B' ' 50' ' ' PHE . 85.9 mt-30 -60.92 -38.85 87.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.653 -179.488 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 2.3 mmmm . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.54 -179.72 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 68.0 m . . . . . 0 CA--C 1.522 -0.098 0 CA-C-O 120.92 0.391 . . . . 0.0 110.262 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -57.35 -39.21 75.49 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -69.42 -31.88 70.5 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.693 -0.685 . . . . 0.0 111.217 179.283 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -61.79 -43.71 98.31 Favored 'General case' 0 C--O 1.233 0.236 0 C-N-CA 120.415 -0.514 . . . . 0.0 110.519 -179.298 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 3.1 mm -70.54 -31.41 46.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.1 -0.5 . . . . 0.0 109.814 178.75 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 41.8 ttm180 -62.49 -37.93 87.91 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.593 -0.731 . . . . 0.0 110.287 179.106 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -58.45 -37.36 75.28 Favored 'General case' 0 C--N 1.334 -0.103 0 CA-C-N 116.045 -0.525 . . . . 0.0 109.802 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -59.74 -32.24 70.37 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.336 179.134 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.442 ' O ' ' OD1' ' A' ' 93' ' ' ASP . 72.4 m-85 -77.88 -38.18 46.44 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 120.611 -0.436 . . . . 0.0 110.321 178.035 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 1.8 mpt_? -47.96 -29.15 3.17 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.655 -179.425 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 48.4 t -60.06 -38.93 78.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-O 120.929 0.395 . . . . 0.0 110.161 179.255 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.405 ' CD1' ' OE1' ' A' ' 104' ' ' GLU . 22.5 m-85 -89.0 -24.96 22.25 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.336 179.769 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.568 ' N ' ' OD1' ' A' ' 93' ' ' ASP . 0.0 OUTLIER -85.84 62.95 7.77 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-O 121.12 0.486 . . . . 0.0 110.394 -179.475 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 16.6 ptpt -69.8 -24.21 63.45 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.863 -0.335 . . . . 0.0 111.883 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' ASP . . . . . 0.527 ' OD1' ' N ' ' A' ' 96' ' ' GLY . 55.0 p-10 -72.8 -25.47 61.16 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.764 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 96' ' ' GLY . . . . . 0.527 ' N ' ' OD1' ' A' ' 95' ' ' ASP . . . 69.26 25.45 75.44 Favored Glycine 0 CA--C 1.526 0.75 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 57.5 t30 -94.01 -7.67 42.11 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.658 0.266 . . . . 0.0 110.963 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 95.83 8.2 58.29 Favored Glycine 0 CA--C 1.529 0.932 0 N-CA-C 111.091 -0.804 . . . . 0.0 111.091 -179.681 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.455 ' CD1' ' N ' ' A' ' 99' ' ' TYR . 12.6 m-85 -133.5 156.39 47.85 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-O 121.168 0.509 . . . . 0.0 111.992 -179.11 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.516 HG22 ' OD1' ' A' ' 93' ' ' ASP . 0.1 OUTLIER -130.7 143.51 40.69 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.152 0 N-CA-C 107.7 -1.222 . . . . 0.0 107.7 177.896 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 41.4 t -59.47 135.9 57.81 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 119.917 -0.713 . . . . 0.0 110.295 -179.397 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.532 ' HB2' HG23 ' A' ' 136' ' ' VAL . . . -63.71 -37.75 88.52 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.026 0.441 . . . . 0.0 110.923 179.768 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -59.33 -41.71 89.75 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.724 -0.671 . . . . 0.0 112.777 -177.764 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.663 ' O ' HG23 ' A' ' 108' ' ' VAL . 0.6 OUTLIER -67.83 -29.43 68.58 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.162 -0.615 . . . . 0.0 110.65 -179.371 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 23.3 tp -62.56 -48.44 79.45 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.057 -0.52 . . . . 0.0 109.638 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 8.5 tmm_? -58.43 -50.14 74.76 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.617 -179.092 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 107' ' ' HIS . . . . . 0.546 ' ND1' ' OD1' ' A' ' 111' ' ' ASN . 62.3 t60 -61.13 -47.0 88.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.411 0.624 . . . . 0.0 110.619 179.704 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.663 HG23 ' O ' ' A' ' 104' ' ' GLU . 56.3 t -60.79 -38.3 78.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 115.038 -0.983 . . . . 0.0 111.181 -179.342 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 109' ' ' MET . . . . . 0.416 ' N ' ' SD ' ' A' ' 109' ' ' MET . 0.0 OUTLIER -76.01 -25.78 56.05 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.625 -179.538 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 58.7 p -104.53 -17.22 14.8 Favored 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 120.513 -0.475 . . . . 0.0 112.201 -178.303 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 111' ' ' ASN . . . . . 0.546 ' OD1' ' ND1' ' A' ' 107' ' ' HIS . 26.4 m120 -113.1 -49.49 2.92 Favored 'General case' 0 N--CA 1.469 0.52 0 N-CA-C 113.27 0.841 . . . . 0.0 113.27 -178.478 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.491 ' O ' ' O ' ' A' ' 113' ' ' GLY . 89.5 mt -88.14 148.68 24.31 Favored 'General case' 0 N--CA 1.467 0.377 0 C-N-CA 120.86 -0.336 . . . . 0.0 111.445 -178.608 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 113' ' ' GLY . . . . . 0.598 ' O ' ' NE2' ' B' ' 47' ' ' GLN . . . 41.23 101.41 0.01 OUTLIER Glycine 0 C--N 1.336 0.567 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 179.439 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 114' ' ' GLU . . . . . 0.504 ' O ' ' O ' ' A' ' 113' ' ' GLY . 97.6 mt-10 52.26 165.3 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 117.096 0.448 . . . . 0.0 110.325 179.53 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -124.02 118.77 27.73 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.835 -0.346 . . . . 0.0 111.089 -179.312 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.607 HD12 ' HB3' ' A' ' 120' ' ' GLU . 4.5 mm? -85.92 155.08 21.07 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 108.665 -0.865 . . . . 0.0 108.665 178.41 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 117' ' ' THR . . . . . 0.441 ' OG1' ' OE1' ' A' ' 120' ' ' GLU . 70.7 p -90.49 171.93 9.07 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.635 -0.426 . . . . 0.0 109.933 179.425 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -58.35 -42.64 87.36 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.875 -0.33 . . . . 0.0 110.653 -179.568 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -61.84 -40.3 94.81 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.953 -179.548 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 120' ' ' GLU . . . . . 0.607 ' HB3' HD12 ' A' ' 116' ' ' LEU . 0.5 OUTLIER -71.68 -40.74 69.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.049 0.452 . . . . 0.0 110.423 178.433 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.417 HG23 ' O ' ' A' ' 117' ' ' THR . 53.2 t -65.24 -41.5 91.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.085 179.784 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 68.2 t0 -59.23 -42.02 90.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.153 -179.116 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -61.74 -37.14 83.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.387 0.613 . . . . 0.0 110.363 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 124' ' ' MET . . . . . 0.596 ' SD ' ' CD1' ' B' ' 50' ' ' PHE . 2.4 mmm -77.28 -33.05 55.9 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.11 -0.95 . . . . 0.0 110.225 179.314 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 125' ' ' ILE . . . . . 0.594 HG13 HD11 ' A' ' 130' ' ' ILE . 0.1 OUTLIER -66.56 -36.52 77.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.145 -178.428 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 5.9 tpt180 -63.23 -63.52 1.17 Allowed 'General case' 0 C--N 1.332 -0.157 0 C-N-CA 120.407 -0.517 . . . . 0.0 110.01 -179.152 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -59.76 -8.6 2.18 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.664 -178.734 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 0.639 ' HB1' ' CG2' ' A' ' 136' ' ' VAL . . . -74.05 -69.18 0.46 Allowed 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.858 -0.337 . . . . 0.0 111.138 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 129' ' ' ASP . . . . . 0.465 ' CB ' ' O ' ' A' ' 128' ' ' ALA . 6.9 m-20 157.67 -88.95 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.679 0 CA-C-O 121.038 0.447 . . . . 0.0 110.703 179.847 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 130' ' ' ILE . . . . . 0.594 HD11 HG13 ' A' ' 125' ' ' ILE . 73.7 mt . . . . . 0 C--N 1.327 -0.391 0 CA-C-N 115.443 -0.799 . . . . 0.0 111.615 -179.638 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.534 0 N-CA-C 111.95 -0.46 . . . . 0.0 111.95 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 16.7 pt20 -126.1 142.91 51.32 Favored 'General case' 0 CA--C 1.517 -0.323 0 CA-C-O 121.234 0.54 . . . . 0.0 110.346 178.627 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 136' ' ' VAL . . . . . 0.639 ' CG2' ' HB1' ' A' ' 128' ' ' ALA . 55.3 t -129.7 134.72 62.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 115.07 -0.968 . . . . 0.0 112.186 -178.572 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 55.3 t-20 -94.02 109.36 21.11 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.029 -1.1 . . . . 0.0 108.029 177.835 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 138' ' ' TYR . . . . . 0.482 ' CE2' ' OD2' ' A' ' 93' ' ' ASP . 40.5 p90 -61.62 -9.93 7.18 Favored 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 120.558 -0.457 . . . . 0.0 112.096 -178.234 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 75.4 mm-40 -59.84 -50.15 74.91 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 119.661 -0.816 . . . . 0.0 110.215 -179.452 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -61.18 -40.42 93.86 Favored 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 120.863 -0.335 . . . . 0.0 110.847 -179.36 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -61.4 -45.44 94.33 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 120.598 -0.441 . . . . 0.0 110.041 179.102 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 56.1 t -63.8 -41.17 91.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.508 179.15 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -56.8 -43.29 80.79 Favored 'General case' 0 N--CA 1.455 -0.212 0 N-CA-C 109.177 -0.675 . . . . 0.0 109.177 -179.757 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 73.0 mtm -59.64 -40.78 88.76 Favored 'General case' 0 N--CA 1.455 -0.211 0 N-CA-C 108.807 -0.812 . . . . 0.0 108.807 179.13 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 66.2 mtt . . . . . 0 C--N 1.327 -0.41 0 CA-C-N 115.663 -0.699 . . . . 0.0 111.596 179.91 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.731 0.301 . . . . 0.0 110.741 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -66.83 132.56 93.96 Favored Pre-proline 0 CA--C 1.537 0.454 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.301 -179.813 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -70.88 -22.35 27.08 Favored 'Trans proline' 0 N--CA 1.492 1.434 0 C-N-CA 122.017 1.811 . . . . 0.0 112.384 -179.774 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -62.98 -38.1 89.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.989 -179.523 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 99.1 m -59.79 -45.16 93.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.527 -0.306 . . . . 0.0 110.466 -179.492 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -61.73 -40.04 93.67 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.728 -0.471 . . . . 0.0 109.728 179.434 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.57 -43.26 89.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.533 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -61.7 -40.76 96.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.47 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -61.79 -41.11 97.31 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.519 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 62.7 t -63.17 -44.76 99.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.292 -179.762 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -60.75 -44.89 96.13 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.484 -0.325 . . . . 0.0 111.272 -178.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 97.0 mt -64.4 -46.91 91.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 C-N-CA 120.594 -0.442 . . . . 0.0 110.267 179.774 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 47' ' ' GLN . . . . . 0.598 ' NE2' ' O ' ' A' ' 113' ' ' GLY . 74.2 mt-30 -64.96 -41.48 95.44 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.512 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 48.3 t -61.75 -46.42 89.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.998 0.427 . . . . 0.0 110.337 -179.836 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 72.1 tp60 -65.78 -39.24 90.79 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.482 179.813 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 50' ' ' PHE . . . . . 0.596 ' CD1' ' SD ' ' A' ' 124' ' ' MET . 38.5 t80 -59.0 -47.06 86.56 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.961 -179.623 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -60.31 -41.09 92.76 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.619 -0.432 . . . . 0.0 110.077 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 64.7 mmtt -65.74 -39.43 91.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.763 179.369 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 53' ' ' PHE . . . . . . . . . . . . . 93.0 t80 -60.07 -49.79 76.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.435 -179.019 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 14.4 pt20 -71.27 -26.62 62.96 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.693 -0.403 . . . . 0.0 110.671 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 88.0 tttt . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.153 179.599 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 87.3 p . . . . . 0 N--CA 1.462 0.169 0 CA-C-O 120.706 0.288 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -54.24 -35.9 62.97 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 120.423 -0.511 . . . . 0.0 109.711 -179.32 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 25.5 pt-20 -66.51 -32.9 74.54 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.894 179.454 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 53.5 tp10 -60.95 -47.61 85.62 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-O 121.072 0.463 . . . . 0.0 110.214 -179.102 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 4.4 mm -66.73 -35.06 73.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.122 178.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.574 ' CZ ' ' NH2' ' A' ' 90' ' ' ARG . 79.8 ttt180 -60.59 -38.91 86.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.108 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 70.9 mm-40 -58.58 -37.72 76.37 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.868 0.366 . . . . 0.0 110.022 -179.802 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -59.85 -35.2 74.26 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.278 179.036 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 72.7 m-85 -79.18 -38.15 36.55 Favored 'General case' 0 CA--C 1.531 0.216 0 C-N-CA 120.845 -0.342 . . . . 0.0 110.599 178.529 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.574 ' NH2' ' CZ ' ' A' ' 86' ' ' ARG . 95.2 mtt-85 -51.22 -28.43 11.44 Favored 'General case' 0 N--CA 1.463 0.21 0 C-N-CA 120.716 -0.394 . . . . 0.0 110.704 -178.573 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 55.6 t -60.83 -38.19 78.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 N-CA-C 109.798 -0.445 . . . . 0.0 109.798 178.229 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -85.28 -23.42 28.17 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.778 -0.647 . . . . 0.0 111.223 -179.694 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 58.9 t0 -89.89 71.76 7.56 Favored 'General case' 0 N--CA 1.463 0.203 0 C-N-CA 120.635 -0.426 . . . . 0.0 110.268 179.257 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 20.5 ptmt -70.5 -26.73 63.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.966 0.412 . . . . 0.0 110.961 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -71.14 -25.41 62.56 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.769 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 68.32 26.78 74.06 Favored Glycine 0 CA--C 1.527 0.803 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 58.5 t30 -91.66 -5.12 54.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.696 0.284 . . . . 0.0 110.868 -179.753 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 98' ' ' GLY . . . . . 0.403 ' O ' ' CE2' ' A' ' 138' ' ' TYR . . . 98.3 -7.78 62.19 Favored Glycine 0 CA--C 1.527 0.817 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 -179.715 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.51 ' CD1' ' N ' ' A' ' 99' ' ' TYR . 9.4 m-85 -120.73 160.89 22.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.049 0.452 . . . . 0.0 111.096 -178.858 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.427 HD13 HG21 ' A' ' 100' ' ' ILE . 0.1 OUTLIER -131.94 146.48 33.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 N-CA-C 108.131 -1.063 . . . . 0.0 108.131 178.492 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 41.1 t -59.68 133.03 55.72 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 119.643 -0.823 . . . . 0.0 109.712 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.519 ' HB2' HG23 ' A' ' 136' ' ' VAL . . . -65.35 -38.64 90.7 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.028 0.442 . . . . 0.0 111.214 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -59.19 -40.82 86.95 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.795 -0.639 . . . . 0.0 112.134 -177.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.716 ' O ' HG23 ' A' ' 108' ' ' VAL . 4.7 pt-20 -69.78 -30.72 68.35 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.388 -0.525 . . . . 0.0 110.634 -179.457 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 2.6 tt -61.41 -48.72 79.9 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.349 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 6.0 tmm_? -57.62 -48.31 79.79 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.541 -0.464 . . . . 0.0 110.014 -179.198 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 107' ' ' HIS . . . . . 0.484 ' O ' ' N ' ' A' ' 111' ' ' ASN . 85.7 t60 -61.28 -45.22 95.4 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.337 0.589 . . . . 0.0 110.308 179.617 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.716 HG23 ' O ' ' A' ' 104' ' ' GLU . 61.2 t -61.6 -38.43 80.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.167 -0.924 . . . . 0.0 111.038 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 109' ' ' MET . . . . . 0.521 ' N ' ' SD ' ' A' ' 109' ' ' MET . 0.0 OUTLIER -76.93 -28.85 55.4 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.707 -0.679 . . . . 0.0 112.217 -179.705 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 110' ' ' THR . . . . . 0.428 ' CG2' HG21 ' A' ' 121' ' ' VAL . 49.5 p -102.83 -15.92 16.08 Favored 'General case' 0 C--N 1.323 -0.557 0 C-N-CA 120.339 -0.544 . . . . 0.0 111.613 -178.286 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 111' ' ' ASN . . . . . 0.484 ' N ' ' O ' ' A' ' 107' ' ' HIS . 59.5 t30 -111.19 -50.39 2.94 Favored 'General case' 0 N--CA 1.468 0.427 0 N-CA-C 112.71 0.633 . . . . 0.0 112.71 -178.943 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 91.8 mt -90.23 167.23 12.85 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-O 120.74 0.305 . . . . 0.0 111.352 -179.198 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 58.61 -117.51 10.95 Favored Glycine 0 C--N 1.335 0.48 0 N-CA-C 111.482 -0.647 . . . . 0.0 111.482 178.677 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 114' ' ' GLU . . . . . 0.557 ' H ' ' CD ' ' B' ' 47' ' ' GLN . 6.0 mm-40 -96.9 168.49 10.46 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.26 -0.645 . . . . 0.0 109.26 178.499 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 27.0 mmtp -103.97 92.31 4.34 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.403 -179.207 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.569 ' N ' HD22 ' A' ' 116' ' ' LEU . 3.6 mm? -79.61 150.38 31.03 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 108.406 -0.961 . . . . 0.0 108.406 178.174 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 117' ' ' THR . . . . . 0.479 ' OG1' ' OE1' ' A' ' 120' ' ' GLU . 19.6 p -94.96 178.65 5.49 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 120.361 -0.536 . . . . 0.0 109.564 179.402 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -60.28 -39.51 87.14 Favored 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 120.703 -0.399 . . . . 0.0 110.414 -179.791 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -62.21 -43.35 99.04 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.045 -179.812 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 120' ' ' GLU . . . . . 0.547 ' HB3' HD12 ' A' ' 116' ' ' LEU . 5.7 mp0 -71.59 -44.52 64.33 Favored 'General case' 0 N--CA 1.455 -0.206 0 C-N-CA 120.666 -0.414 . . . . 0.0 111.21 179.106 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.707 HG12 HD13 ' A' ' 125' ' ' ILE . 73.5 t -65.21 -41.86 92.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.332 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -51.95 -42.7 63.07 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.568 -0.453 . . . . 0.0 110.334 -178.871 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 -63.31 -33.47 75.58 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.077 179.202 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 93.6 mtp -74.46 -36.93 63.35 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.042 179.326 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 125' ' ' ILE . . . . . 0.707 HD13 HG12 ' A' ' 121' ' ' VAL . 1.1 mp -60.3 -42.58 91.16 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.165 0 CA-C-N 115.613 -0.721 . . . . 0.0 111.608 -179.028 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 12.4 ttt85 -60.26 -63.96 1.12 Allowed 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 120.179 -0.609 . . . . 0.0 110.309 -179.236 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 127' ' ' GLU . . . . . 0.442 ' CD ' ' SD ' ' A' ' 144' ' ' MET . 57.6 mt-10 -61.39 -8.39 3.97 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.879 -0.601 . . . . 0.0 111.68 -178.513 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 0.585 ' HB1' ' CG2' ' A' ' 136' ' ' VAL . . . -75.23 -71.53 0.36 Allowed 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.84 -0.344 . . . . 0.0 110.897 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 129' ' ' ASP . . . . . 0.478 ' CG ' ' N ' ' A' ' 130' ' ' ILE . 2.9 t70 160.97 -87.06 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.407 0 CA-C-O 121.343 0.592 . . . . 0.0 110.684 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 130' ' ' ILE . . . . . 0.478 ' N ' ' CG ' ' A' ' 129' ' ' ASP . 0.7 OUTLIER . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 114.859 -1.064 . . . . 0.0 111.192 -179.148 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 N-CA-C 112.486 -0.245 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 135' ' ' GLN . . . . . 0.414 ' O ' ' OD2' ' A' ' 129' ' ' ASP . 11.8 pt20 -128.84 148.45 50.89 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-O 121.046 0.451 . . . . 0.0 110.908 179.159 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 136' ' ' VAL . . . . . 0.585 ' CG2' ' HB1' ' A' ' 128' ' ' ALA . 49.2 t -129.53 134.43 63.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.411 -0.813 . . . . 0.0 112.081 -179.326 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 137' ' ' ASN . . . . . 0.433 ' OD1' ' OE1' ' A' ' 139' ' ' GLU . 60.5 t30 -93.38 112.05 23.87 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 108.716 -0.846 . . . . 0.0 108.716 178.659 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 138' ' ' TYR . . . . . 0.444 ' CE1' ' OE2' ' A' ' 139' ' ' GLU . 38.4 p90 -66.22 -10.16 39.15 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 112.782 0.66 . . . . 0.0 112.782 -178.07 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 139' ' ' GLU . . . . . 0.444 ' OE2' ' CE1' ' A' ' 138' ' ' TYR . 4.9 mp0 -59.26 -51.43 69.98 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.102 -0.639 . . . . 0.0 111.005 -179.87 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 76.0 mm-40 -61.66 -40.29 94.42 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 120.827 -0.349 . . . . 0.0 110.9 -179.182 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -59.97 -45.51 92.44 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.888 -0.412 . . . . 0.0 109.888 178.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 53.5 t -64.19 -43.74 97.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 C-N-CA 120.787 -0.365 . . . . 0.0 110.792 179.289 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -63.29 -42.58 99.08 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.569 -0.452 . . . . 0.0 109.872 179.634 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 144' ' ' MET . . . . . 0.442 ' SD ' ' CD ' ' A' ' 127' ' ' GLU . 3.2 ttp -70.37 -52.04 25.44 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.093 178.847 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 83.0 mtp . . . . . 0 C--N 1.321 -0.652 0 CA-C-N 116.144 -0.48 . . . . 0.0 112.279 -179.158 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 . . . . . 0 CA--C 1.527 0.095 0 CA-C-O 120.499 0.19 . . . . 0.0 111.431 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.32 120.75 54.38 Favored Pre-proline 0 CA--C 1.543 0.676 0 C-N-CA 120.719 -0.392 . . . . 0.0 110.819 -179.378 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_exo -53.21 -29.68 47.57 Favored 'Trans proline' 0 N--CA 1.5 1.892 0 C-N-CA 122.032 1.821 . . . . 0.0 112.283 178.637 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -60.31 -36.85 78.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.662 -179.486 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 97.9 m -59.54 -44.51 93.2 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.666 -179.62 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -61.87 -40.65 96.12 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.744 -0.382 . . . . 0.0 110.615 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 90.1 mmt-85 -63.76 -39.69 94.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.67 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -61.38 -40.77 95.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.914 0.388 . . . . 0.0 110.517 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -62.03 -39.69 93.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.887 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 56.9 t -61.32 -46.04 97.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.527 -179.274 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -60.88 -44.44 97.08 Favored 'General case' 0 C--N 1.331 -0.218 0 C-N-CA 120.582 -0.447 . . . . 0.0 110.656 -179.429 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 81.8 mt -63.55 -48.03 88.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.095 179.527 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 47' ' ' GLN . . . . . 0.557 ' CD ' ' H ' ' A' ' 114' ' ' GLU . 75.2 mt-30 -66.08 -41.19 91.04 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.879 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 75.7 m -63.34 -43.86 96.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.925 0.393 . . . . 0.0 110.181 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 72.4 tp60 -66.51 -39.15 88.51 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.359 179.554 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 50' ' ' PHE . . . . . 0.473 ' CZ ' ' NE2' ' B' ' 54' ' ' GLN . 56.1 t80 -59.22 -47.47 85.22 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.743 -179.803 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 44.3 ttm180 -59.63 -42.13 92.03 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.635 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 62.8 mttp -61.36 -40.35 93.95 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.28 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 53' ' ' PHE . . . . . . . . . . . . . 65.9 t80 -61.13 -45.12 95.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.118 179.465 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 54' ' ' GLN . . . . . 0.473 ' NE2' ' CZ ' ' B' ' 50' ' ' PHE . 92.2 mt-30 -61.14 -40.34 93.45 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.89 -179.193 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 64.6 tttm . . . . . 0 C--N 1.328 -0.344 0 CA-C-O 120.814 0.34 . . . . 0.0 110.296 -179.876 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 66.0 m . . . . . 0 CA--C 1.522 -0.115 0 CA-C-O 121.009 0.433 . . . . 0.0 110.243 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -55.5 -39.15 70.1 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 -179.615 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.421 ' CD ' ' N ' ' A' ' 84' ' ' GLU . 3.2 pp20? -64.16 -34.69 78.65 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.614 179.301 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.421 ' N ' ' CD ' ' A' ' 83' ' ' GLU . 88.5 tt0 -62.99 -45.66 91.36 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-O 121.027 0.441 . . . . 0.0 110.454 -179.792 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 4.2 mm -65.22 -39.23 84.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.642 178.729 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 80.3 ttt180 -59.35 -38.28 79.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.201 -0.909 . . . . 0.0 111.017 179.854 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -56.24 -40.0 73.43 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.122 -0.49 . . . . 0.0 109.866 -179.395 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.71 -35.56 76.62 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.765 179.228 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 64.4 m-85 -73.83 -41.01 62.91 Favored 'General case' 0 C--N 1.332 -0.194 0 C-N-CA 120.469 -0.493 . . . . 0.0 110.324 178.419 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -49.07 -26.83 2.88 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.102 -178.156 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 55.3 t -61.18 -39.66 83.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 C-N-CA 120.674 -0.41 . . . . 0.0 110.629 179.021 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 27.8 m-85 -81.98 -23.44 36.05 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.848 -0.341 . . . . 0.0 110.814 -179.801 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.434 ' OD1' ' OD1' ' A' ' 95' ' ' ASP . 62.6 t0 -90.68 78.59 6.18 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.238 179.446 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 16.0 ptpt -75.03 -25.38 58.69 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.751 0.31 . . . . 0.0 111.784 -179.796 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' ASP . . . . . 0.434 ' OD1' ' OD1' ' A' ' 93' ' ' ASP . 12.3 p-10 -75.69 -23.97 56.22 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.669 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 67.7 29.16 73.61 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.858 -0.897 . . . . 0.0 110.858 179.797 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 97' ' ' ASN . . . . . 0.532 ' O ' ' ND2' ' A' ' 97' ' ' ASN . 0.2 OUTLIER -95.8 -1.82 48.88 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 120.921 -0.312 . . . . 0.0 110.671 -179.855 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 98' ' ' GLY . . . . . 0.427 ' C ' ' CD1' ' A' ' 99' ' ' TYR . . . 93.9 13.8 53.88 Favored Glycine 0 CA--C 1.53 0.979 0 C-N-CA 120.799 -0.715 . . . . 0.0 111.432 -179.795 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.433 ' CD1' ' N ' ' A' ' 99' ' ' TYR . 24.1 m-85 -138.36 157.0 47.09 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-O 121.228 0.537 . . . . 0.0 112.145 -179.641 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -131.25 144.59 37.23 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.084 0 N-CA-C 107.926 -1.138 . . . . 0.0 107.926 177.919 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 40.5 t -60.53 132.05 52.68 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.032 -0.667 . . . . 0.0 110.625 -179.468 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.681 ' HB2' HG23 ' A' ' 136' ' ' VAL . . . -64.7 -38.83 92.33 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.923 179.653 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -60.04 -40.72 90.36 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.852 -0.613 . . . . 0.0 112.028 -178.323 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.581 ' O ' HG23 ' A' ' 108' ' ' VAL . 3.8 pt-20 -70.28 -30.05 66.97 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.511 -0.476 . . . . 0.0 110.488 -179.3 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 4.8 tt -60.97 -48.44 81.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.048 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 106' ' ' ARG . . . . . 0.426 ' CD ' ' C ' ' A' ' 106' ' ' ARG . 0.0 OUTLIER -56.92 -49.47 75.51 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.22 -179.71 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 107' ' ' HIS . . . . . 0.51 ' CE1' ' ND2' ' A' ' 111' ' ' ASN . 79.2 t60 -61.79 -46.91 87.5 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.283 0.563 . . . . 0.0 110.812 179.126 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.581 HG23 ' O ' ' A' ' 104' ' ' GLU . 61.2 t -62.51 -39.57 84.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 115.497 -0.774 . . . . 0.0 111.673 -179.584 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 109' ' ' MET . . . . . 0.462 ' N ' ' SD ' ' A' ' 109' ' ' MET . 0.0 OUTLIER -70.16 -32.11 69.93 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.799 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 110' ' ' THR . . . . . 0.658 ' CG2' HG21 ' A' ' 121' ' ' VAL . 64.3 p -103.92 -14.03 16.14 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 112.235 0.457 . . . . 0.0 112.235 -178.166 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 111' ' ' ASN . . . . . 0.51 ' ND2' ' CE1' ' A' ' 107' ' ' HIS . 63.9 t30 -105.89 -28.63 10.49 Favored 'General case' 0 N--CA 1.463 0.216 0 N-CA-C 112.068 0.396 . . . . 0.0 112.068 -179.419 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 83.2 mt -118.59 -179.13 3.7 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 121.628 0.728 . . . . 0.0 111.84 -179.191 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 62.71 -122.91 29.23 Favored Glycine 0 CA--C 1.526 0.733 0 CA-C-N 114.612 -1.176 . . . . 0.0 112.145 179.108 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 114' ' ' GLU . . . . . 0.421 ' O ' ' O ' ' A' ' 115' ' ' LYS . 99.3 mt-10 -99.76 13.82 32.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.921 0.391 . . . . 0.0 111.054 -179.353 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.421 ' O ' ' O ' ' A' ' 114' ' ' GLU . 90.0 mttt 49.58 101.98 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.642 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.669 HD12 ' HB3' ' A' ' 120' ' ' GLU . 4.2 mm? -91.7 156.45 17.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.239 -179.819 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 117' ' ' THR . . . . . 0.524 ' O ' HG23 ' A' ' 121' ' ' VAL . 64.3 p -91.74 170.58 9.79 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.998 -0.371 . . . . 0.0 109.998 179.171 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 118' ' ' ASP . . . . . 0.531 ' OD1' ' N ' ' A' ' 119' ' ' GLU . 41.3 p-10 -58.44 -40.84 83.67 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.754 -0.378 . . . . 0.0 110.86 -179.793 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 119' ' ' GLU . . . . . 0.531 ' N ' ' OD1' ' A' ' 118' ' ' ASP . 88.6 tt0 -61.82 -42.7 99.35 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.664 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 120' ' ' GLU . . . . . 0.669 ' HB3' HD12 ' A' ' 116' ' ' LEU . 78.3 mm-40 -69.52 -40.01 77.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.093 0.473 . . . . 0.0 110.025 178.939 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.658 HG21 ' CG2' ' A' ' 110' ' ' THR . 76.9 t -66.73 -44.24 89.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.161 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -56.82 -46.57 81.57 Favored 'General case' 0 C--N 1.331 -0.205 0 C-N-CA 120.943 -0.303 . . . . 0.0 111.017 -178.085 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 53.6 tp10 -62.39 -37.2 84.85 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 179.076 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 124' ' ' MET . . . . . 0.599 ' SD ' ' CE1' ' B' ' 50' ' ' PHE . 37.0 mmm -70.78 -37.7 73.34 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.21 -0.905 . . . . 0.0 110.324 178.322 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 125' ' ' ILE . . . . . 0.505 HG13 HD11 ' A' ' 130' ' ' ILE . 0.1 OUTLIER -61.19 -37.34 77.27 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.156 0 CA-C-N 115.578 -0.737 . . . . 0.0 111.489 -177.532 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 24.6 mmm-85 -61.42 -63.16 1.37 Allowed 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 119.927 -0.709 . . . . 0.0 109.52 -179.62 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -59.68 -6.94 1.32 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.452 -178.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 0.519 ' HB1' HG21 ' A' ' 136' ' ' VAL . . . -76.82 -73.82 0.27 Allowed 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.681 -0.408 . . . . 0.0 110.222 179.294 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 129' ' ' ASP . . . . . 0.487 ' CG ' ' N ' ' A' ' 130' ' ' ILE . 10.0 t70 163.46 -93.08 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.709 0 CA-C-O 121.57 0.7 . . . . 0.0 111.102 179.075 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 130' ' ' ILE . . . . . 0.585 ' O ' HG22 ' A' ' 130' ' ' ILE . 64.6 mt . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 114.721 -1.127 . . . . 0.0 110.649 -178.67 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 CA-C-O 120.063 -0.298 . . . . 0.0 112.837 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 135' ' ' GLN . . . . . 0.434 ' O ' ' OD2' ' A' ' 129' ' ' ASP . 0.6 OUTLIER -123.54 145.23 49.03 Favored 'General case' 0 N--CA 1.466 0.342 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 177.797 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 136' ' ' VAL . . . . . 0.681 HG23 ' HB2' ' A' ' 102' ' ' ALA . 40.4 t -124.86 134.32 67.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.835 -0.621 . . . . 0.0 112.542 -178.602 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 137' ' ' ASN . . . . . 0.581 ' O ' ' ND2' ' A' ' 137' ' ' ASN . 0.4 OUTLIER -93.3 113.16 25.28 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 115.536 -0.756 . . . . 0.0 109.062 178.272 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 37.9 p90 -63.16 -6.79 4.64 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.486 -0.485 . . . . 0.0 111.962 -178.48 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -60.37 -51.05 71.17 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 119.952 -0.699 . . . . 0.0 110.7 -179.489 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 52.5 tp10 -60.37 -41.01 92.82 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-O 120.837 0.351 . . . . 0.0 110.729 -179.135 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 141' ' ' PHE . . . . . 0.517 ' O ' ' SD ' ' A' ' 145' ' ' MET . 3.9 m-85 -61.42 -41.05 96.56 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 120.409 -0.516 . . . . 0.0 109.799 179.187 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 52.5 t -64.07 -40.49 89.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 C-N-CA 120.533 -0.467 . . . . 0.0 110.584 178.793 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 30.8 mt-30 -61.2 -40.4 93.8 Favored 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 178.877 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 72.7 mtp -60.46 -44.7 95.6 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 179.372 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 145' ' ' MET . . . . . 0.517 ' SD ' ' O ' ' A' ' 141' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--N 1.331 -0.234 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.187 179.808 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 67.1 t0 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.546 0.213 . . . . 0.0 110.854 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -59.92 124.98 79.39 Favored Pre-proline 0 CA--C 1.541 0.627 0 C-N-CA 120.727 -0.389 . . . . 0.0 110.337 -179.709 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 76.2 Cg_exo -51.79 -27.21 26.19 Favored 'Trans proline' 0 N--CA 1.498 1.789 0 C-N-CA 121.783 1.655 . . . . 0.0 112.459 179.105 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 52.7 tp10 -59.32 -43.32 92.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.793 -178.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 93.9 m -61.81 -48.24 81.5 Favored 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 120.579 -0.448 . . . . 0.0 110.975 -179.437 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -64.45 -40.73 96.28 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.622 -0.51 . . . . 0.0 109.622 179.346 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 41' ' ' ARG . . . . . 0.504 HH12 ' HB2' ' B' ' 45' ' ' ALA . 51.6 tpt85 -61.6 -46.08 91.37 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.335 -0.848 . . . . 0.0 110.561 179.361 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -61.49 -40.29 94.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.238 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -61.55 -39.35 90.78 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.598 179.789 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 44' ' ' VAL . . . . . 0.408 ' O ' ' CB ' ' B' ' 48' ' ' SER . 52.9 t -60.43 -46.04 95.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.177 -179.34 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 45' ' ' ALA . . . . . 0.504 ' HB2' HH12 ' B' ' 41' ' ' ARG . . . -61.47 -46.54 89.63 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.52 -0.472 . . . . 0.0 111.175 -179.522 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 94.9 mt -66.71 -48.08 81.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.84 0.353 . . . . 0.0 111.329 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 47' ' ' GLN . . . . . 0.603 ' OE1' HD23 ' A' ' 116' ' ' LEU . 15.4 mm-40 -69.02 -40.47 78.65 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.937 -179.061 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 48' ' ' SER . . . . . 0.408 ' CB ' ' O ' ' B' ' 44' ' ' VAL . 47.7 t -62.95 -43.86 97.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.105 0.479 . . . . 0.0 110.185 179.449 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 10.0 tp-100 -63.51 -36.53 84.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.331 -179.869 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 50' ' ' PHE . . . . . 0.599 ' CE1' ' SD ' ' A' ' 124' ' ' MET . 43.2 t80 -57.62 -45.84 84.86 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.718 -179.823 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 45.0 ttm180 -57.58 -45.87 84.69 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 120.597 -0.441 . . . . 0.0 110.002 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 20.3 ttmm -62.2 -41.33 98.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.966 0.412 . . . . 0.0 110.146 179.175 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 53' ' ' PHE . . . . . . . . . . . . . 92.8 t80 -58.61 -46.81 86.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.414 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 98.3 mm-40 -61.42 -39.27 90.17 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.545 -179.834 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 38.8 ttpt . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.606 -179.871 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 68.6 m . . . . . 0 N--CA 1.463 0.18 0 CA-C-O 120.875 0.369 . . . . 0.0 110.465 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -56.15 -36.14 67.95 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 -179.03 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 22.8 pt-20 -66.83 -28.48 68.39 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.97 179.286 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -62.41 -46.43 88.6 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-O 120.925 0.393 . . . . 0.0 110.761 -179.079 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 1.8 mt -72.93 -28.72 27.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 121.141 0.496 . . . . 0.0 110.168 179.534 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 41.0 ttm180 -60.34 -39.41 87.03 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.905 -0.589 . . . . 0.0 109.883 179.145 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -58.89 -43.72 91.01 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 179.66 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.48 -37.9 82.53 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.957 179.779 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 37.7 m-85 -76.5 -43.28 40.24 Favored 'General case' 0 C--N 1.332 -0.175 0 C-N-CA 120.644 -0.423 . . . . 0.0 110.352 178.357 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 95.2 mtt180 -48.77 -24.42 1.41 Allowed 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.447 -178.91 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 53.2 t -61.77 -40.74 87.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 N-CA-C 109.938 -0.393 . . . . 0.0 109.938 178.612 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 20.2 m-85 -86.12 -25.6 25.69 Favored 'General case' 0 CA--C 1.53 0.206 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.213 -179.604 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 63.7 t0 -88.35 76.38 8.34 Favored 'General case' 0 C--N 1.332 -0.176 0 C-N-CA 120.52 -0.472 . . . . 0.0 109.822 179.248 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 3.9 ptmm? -71.05 -21.14 62.29 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.751 -179.683 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -82.74 -25.83 32.49 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.795 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 68.02 32.73 77.48 Favored Glycine 0 CA--C 1.526 0.732 0 N-CA-C 110.473 -1.051 . . . . 0.0 110.473 -179.786 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 58.5 t30 -96.26 -1.06 48.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.704 0.288 . . . . 0.0 110.775 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 94.26 6.11 61.67 Favored Glycine 0 CA--C 1.529 0.928 0 N-CA-C 111.56 -0.616 . . . . 0.0 111.56 179.845 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.459 ' N ' ' CD1' ' A' ' 99' ' ' TYR . 18.2 m-85 -134.77 158.99 42.73 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-O 121.204 0.526 . . . . 0.0 111.654 -179.597 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -132.44 149.67 32.51 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.155 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 178.279 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 67.0 m -60.3 131.84 52.05 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 119.685 -0.806 . . . . 0.0 109.964 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.578 ' HB2' HG23 ' A' ' 136' ' ' VAL . . . -66.81 -38.06 85.74 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.904 0.383 . . . . 0.0 111.059 179.697 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -60.63 -42.38 96.77 Favored 'General case' 0 N--CA 1.465 0.292 0 N-CA-C 112.737 0.643 . . . . 0.0 112.737 -178.109 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.723 ' O ' HG23 ' A' ' 108' ' ' VAL . 7.8 pt-20 -69.28 -27.15 65.16 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.318 -0.553 . . . . 0.0 110.445 -179.055 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 45.7 tp -61.5 -45.7 93.13 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 108.915 -0.772 . . . . 0.0 108.915 179.693 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 9.3 tpp180 -56.98 -50.16 73.55 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.224 -179.007 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 107' ' ' HIS . . . . . 0.427 ' O ' ' N ' ' A' ' 111' ' ' ASN . 80.6 t60 -62.61 -44.46 96.24 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.41 0.624 . . . . 0.0 110.358 179.61 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.723 HG23 ' O ' ' A' ' 104' ' ' GLU . 74.4 t -61.77 -37.33 77.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 114.98 -1.009 . . . . 0.0 112.094 -178.782 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -82.64 -22.6 34.63 Favored 'General case' 0 N--CA 1.466 0.326 0 C-N-CA 120.595 -0.442 . . . . 0.0 111.8 -178.879 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 110' ' ' THR . . . . . 0.505 HG22 HG21 ' A' ' 121' ' ' VAL . 46.4 p -103.46 -16.63 15.52 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 120.464 -0.494 . . . . 0.0 111.347 -179.089 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 111' ' ' ASN . . . . . 0.427 ' N ' ' O ' ' A' ' 107' ' ' HIS . 17.0 t-20 -109.93 -48.7 3.17 Favored 'General case' 0 N--CA 1.464 0.272 0 C-N-CA 120.99 -0.284 . . . . 0.0 111.761 -179.534 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 91.0 mt -95.05 174.55 7.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.312 0.577 . . . . 0.0 111.79 -179.086 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 70.23 -123.09 11.82 Favored Glycine 0 CA--C 1.527 0.799 0 CA-C-N 115.005 -0.998 . . . . 0.0 112.927 178.679 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 114' ' ' GLU . . . . . 0.446 ' O ' ' O ' ' A' ' 115' ' ' LYS . 99.4 mt-10 -105.08 13.43 30.82 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.878 0.37 . . . . 0.0 111.466 -179.016 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.446 ' O ' ' O ' ' A' ' 114' ' ' GLU . 52.9 mttp 50.05 103.91 0.01 OUTLIER 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.791 179.813 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.529 HD12 ' HB3' ' A' ' 120' ' ' GLU . 4.5 mm? -91.25 158.44 16.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.788 -0.642 . . . . 0.0 109.735 179.21 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 72.6 p -92.35 170.07 10.07 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.194 -0.669 . . . . 0.0 109.194 178.572 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -59.12 -40.71 86.27 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 120.481 -0.487 . . . . 0.0 110.642 -179.308 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -63.11 -43.05 99.54 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.625 -0.43 . . . . 0.0 111.011 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 120' ' ' GLU . . . . . 0.529 ' HB3' HD12 ' A' ' 116' ' ' LEU . 52.1 mt-10 -69.4 -44.07 72.17 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.88 0.371 . . . . 0.0 111.129 179.701 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.557 HG12 HD13 ' A' ' 125' ' ' ILE . 65.2 t -65.63 -42.89 93.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.753 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -54.66 -39.01 67.61 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.283 -0.567 . . . . 0.0 109.604 -178.805 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -63.33 -37.41 87.14 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.214 0.531 . . . . 0.0 109.725 178.326 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 96.4 mtp -70.49 -38.43 74.37 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.655 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 125' ' ' ILE . . . . . 0.557 HD13 HG12 ' A' ' 121' ' ' VAL . 1.2 mp -59.2 -39.2 78.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.533 -179.646 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 83.9 mtp180 -67.87 -26.21 65.9 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.345 179.814 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -95.82 -3.41 45.64 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.641 179.43 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 0.502 ' HB1' HG21 ' A' ' 136' ' ' VAL . . . -87.97 -78.12 0.33 Allowed 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.745 -178.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 129' ' ' ASP . . . . . 0.471 ' CG ' ' N ' ' A' ' 130' ' ' ILE . 14.6 t0 164.45 -96.29 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.817 0 CA-C-O 121.384 0.612 . . . . 0.0 110.679 179.858 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 130' ' ' ILE . . . . . 0.471 ' N ' ' CG ' ' A' ' 129' ' ' ASP . 1.0 OUTLIER . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 114.985 -1.007 . . . . 0.0 110.725 -179.142 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.131 0 CA-C-O 119.719 -0.49 . . . . 0.0 112.994 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 135' ' ' GLN . . . . . 0.418 ' OE1' ' O ' ' A' ' 135' ' ' GLN . 0.0 OUTLIER -123.95 148.59 46.78 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-N 117.531 0.666 . . . . 0.0 110.881 179.345 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 136' ' ' VAL . . . . . 0.578 HG23 ' HB2' ' A' ' 102' ' ' ALA . 8.2 t -133.38 135.3 56.35 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.171 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.94 -179.381 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -90.5 110.26 21.38 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.659 -0.7 . . . . 0.0 109.852 178.81 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 38.0 p90 -65.86 -13.56 59.81 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 120.816 -0.354 . . . . 0.0 111.852 -179.003 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 60.5 mp0 -58.91 -48.16 82.45 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 120.08 -0.648 . . . . 0.0 110.821 -178.46 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -62.11 -43.1 99.56 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.65 -0.42 . . . . 0.0 111.005 -179.695 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -58.77 -48.02 82.67 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.179 -0.464 . . . . 0.0 109.969 179.4 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 55.1 t -64.12 -42.58 96.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.841 179.784 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 80.2 mm-40 -61.67 -41.05 97.02 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 108.546 -0.909 . . . . 0.0 108.546 178.504 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 2.3 ttt -66.73 -49.23 66.68 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.195 -0.911 . . . . 0.0 110.431 178.711 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 64.1 mtt . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.868 179.794 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 56.1 p30 . . . . . 0 N--CA 1.457 -0.095 0 CA-C-O 121.065 0.46 . . . . 0.0 109.963 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -102.46 110.05 62.01 Favored Pre-proline 0 CA--C 1.537 0.448 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.224 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 75.4 Cg_exo -50.6 -29.65 25.79 Favored 'Trans proline' 0 N--CA 1.495 1.58 0 C-N-CA 121.824 1.682 . . . . 0.0 111.926 179.475 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -60.41 -41.89 94.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.528 -179.811 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 97.1 m -61.15 -45.79 93.19 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.829 0.347 . . . . 0.0 110.396 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -62.0 -44.05 97.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.399 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 23.6 mmt85 -63.54 -40.14 96.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.352 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -61.91 -39.98 93.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.168 179.531 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -61.41 -39.89 92.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.652 179.832 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 54.6 t -61.66 -46.32 96.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.726 -179.308 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -61.31 -43.9 98.1 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.646 -0.421 . . . . 0.0 110.85 -179.272 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 97.4 mt -62.65 -47.43 92.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-O 121.052 0.454 . . . . 0.0 109.813 179.839 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 47' ' ' GLN . . . . . 0.447 ' OE1' ' CD2' ' A' ' 116' ' ' LEU . 76.6 mt-30 -66.57 -39.58 88.56 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.356 179.366 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 48.2 t -60.87 -45.75 93.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.825 0.345 . . . . 0.0 110.622 -179.57 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 3.6 mp0 -65.24 -35.91 82.5 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.898 179.692 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 50' ' ' PHE . . . . . 0.473 ' CE2' ' OE1' ' B' ' 54' ' ' GLN . 38.8 t80 -59.03 -48.5 81.35 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.666 -0.414 . . . . 0.0 110.601 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -62.56 -40.03 95.55 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.883 -0.327 . . . . 0.0 110.57 179.722 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 64.7 tttm -61.87 -41.26 97.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.376 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 53' ' ' PHE . . . . . . . . . . . . . 61.3 t80 -59.5 -43.01 93.44 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.373 -179.649 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 54' ' ' GLN . . . . . 0.473 ' OE1' ' CE2' ' B' ' 50' ' ' PHE . 47.3 mt-30 -61.12 -40.05 92.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.726 -179.552 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 14.4 tmtt? . . . . . 0 C--N 1.33 -0.247 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.712 -179.731 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 67.8 m . . . . . 0 CA--C 1.522 -0.097 0 CA-C-O 120.682 0.277 . . . . 0.0 111.043 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -54.27 -31.17 53.06 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.268 0.556 . . . . 0.0 109.873 -179.748 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -70.37 -34.93 73.17 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.306 -0.861 . . . . 0.0 110.323 179.396 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -62.47 -47.16 85.2 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.771 -179.665 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 4.7 mm -66.62 -38.14 80.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.027 -0.533 . . . . 0.0 109.578 179.037 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.627 ' CZ ' HH21 ' A' ' 90' ' ' ARG . 75.4 ttt180 -59.71 -38.14 80.8 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.21 -0.905 . . . . 0.0 110.957 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -57.5 -40.82 79.5 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 -179.703 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -59.76 -35.79 75.33 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.676 179.571 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 60.8 m-85 -77.16 -40.42 45.53 Favored 'General case' 0 C--N 1.331 -0.196 0 C-N-CA 120.678 -0.409 . . . . 0.0 110.442 178.223 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.627 HH21 ' CZ ' ' A' ' 86' ' ' ARG . 94.1 mtt-85 -51.2 -25.11 4.95 Favored 'General case' 0 CA--C 1.52 -0.2 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.823 -178.773 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 53.8 t -61.89 -39.38 83.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.157 178.72 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 22.2 m-85 -85.0 -21.12 29.61 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.035 -179.677 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 65.2 t0 -91.24 84.73 5.68 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 178.72 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.417 ' HD2' ' H ' ' A' ' 94' ' ' LYS . 0.0 OUTLIER -86.44 -20.92 27.44 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.753 -0.379 . . . . 0.0 110.907 -179.307 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -74.67 -27.31 60.36 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.643 -0.503 . . . . 0.0 109.643 178.629 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 71.37 26.72 72.84 Favored Glycine 0 CA--C 1.526 0.749 0 N-CA-C 110.701 -0.96 . . . . 0.0 110.701 -179.699 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 56.2 p30 -94.14 -0.87 55.01 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 121.057 -0.257 . . . . 0.0 111.369 -179.823 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 98' ' ' GLY . . . . . 0.416 ' C ' ' CD1' ' A' ' 99' ' ' TYR . . . 92.93 10.78 59.59 Favored Glycine 0 CA--C 1.531 1.051 0 C-N-CA 120.947 -0.644 . . . . 0.0 111.56 179.829 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.462 ' CD1' ' N ' ' A' ' 99' ' ' TYR . 16.9 m-85 -136.87 158.54 44.22 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-O 121.208 0.527 . . . . 0.0 112.207 -179.787 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.429 HG21 HD13 ' A' ' 100' ' ' ILE . 0.2 OUTLIER -130.63 145.56 35.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 N-CA-C 107.593 -1.262 . . . . 0.0 107.593 177.842 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 67.2 m -59.98 130.34 46.24 Favored 'General case' 0 C--N 1.323 -0.553 0 C-N-CA 119.815 -0.754 . . . . 0.0 110.179 -179.571 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.656 ' HB2' HG23 ' A' ' 136' ' ' VAL . . . -64.15 -39.35 93.83 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.077 0.465 . . . . 0.0 111.075 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -60.82 -42.02 96.86 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 113.018 0.747 . . . . 0.0 113.018 -177.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.629 ' O ' HG23 ' A' ' 108' ' ' VAL . 7.8 pt-20 -69.85 -28.39 65.63 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 120.358 -0.537 . . . . 0.0 110.601 -178.849 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 3.4 tt -60.82 -47.8 84.69 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.848 -0.427 . . . . 0.0 109.848 179.596 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 8.7 tmm_? -56.59 -49.8 73.83 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.632 -0.427 . . . . 0.0 110.078 -179.481 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 107' ' ' HIS . . . . . 0.496 ' O ' ' N ' ' A' ' 111' ' ' ASN . 83.8 t60 -61.15 -46.35 90.88 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-O 121.332 0.587 . . . . 0.0 110.437 179.517 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.629 HG23 ' O ' ' A' ' 104' ' ' GLU . 63.2 t -61.32 -39.42 82.62 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 115.113 -0.949 . . . . 0.0 110.879 -179.808 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.8 -29.25 63.12 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.953 -179.521 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 110' ' ' THR . . . . . 0.54 ' CG2' HG21 ' A' ' 121' ' ' VAL . 69.8 p -104.01 -14.0 16.11 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 120.67 -0.412 . . . . 0.0 111.894 -178.44 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 111' ' ' ASN . . . . . 0.496 ' N ' ' O ' ' A' ' 107' ' ' HIS . 61.3 t30 -107.12 -48.96 3.37 Favored 'General case' 0 N--CA 1.466 0.365 0 N-CA-C 112.39 0.515 . . . . 0.0 112.39 -179.094 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 86.5 mt -93.17 167.35 11.82 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-O 121.086 0.47 . . . . 0.0 111.987 -178.573 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 61.02 -115.01 7.25 Favored Glycine 0 CA--C 1.521 0.445 0 CA-C-N 115.705 -0.68 . . . . 0.0 111.997 178.432 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 114' ' ' GLU . . . . . 0.561 ' O ' HD22 ' A' ' 116' ' ' LEU . 99.2 mt-10 -115.9 96.26 5.5 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 179.197 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.402 ' H ' ' HG3' ' A' ' 115' ' ' LYS . 5.2 mtpm? -37.29 116.18 0.45 Allowed 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.718 -178.24 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.666 HD12 ' HB3' ' A' ' 120' ' ' GLU . 3.9 mm? -86.51 156.17 20.2 Favored 'General case' 0 C--N 1.332 -0.153 0 N-CA-C 107.925 -1.139 . . . . 0.0 107.925 177.788 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 67.0 p -89.01 165.58 14.46 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.205 -0.598 . . . . 0.0 109.782 178.905 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 118' ' ' ASP . . . . . 0.449 ' N ' ' OD1' ' A' ' 118' ' ' ASP . 11.1 p-10 -58.24 -40.14 80.97 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 120.569 -0.453 . . . . 0.0 110.3 -179.875 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 119' ' ' GLU . . . . . 0.434 ' OE1' ' OD1' ' A' ' 118' ' ' ASP . 60.9 mp0 -62.7 -41.76 99.3 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.167 179.841 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 120' ' ' GLU . . . . . 0.666 ' HB3' HD12 ' A' ' 116' ' ' LEU . 51.0 mt-10 -69.96 -43.22 72.0 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.861 179.315 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.602 HG12 HD13 ' A' ' 125' ' ' ILE . 55.7 t -63.21 -43.01 98.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 116.238 -0.437 . . . . 0.0 109.987 179.38 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -55.38 -39.43 70.12 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 120.182 -0.607 . . . . 0.0 109.744 -178.839 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 78.6 mm-40 -63.01 -38.08 89.77 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 178.304 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 96.0 mtp -70.41 -39.65 74.35 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.883 -179.707 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 125' ' ' ILE . . . . . 0.602 HD13 HG12 ' A' ' 121' ' ' VAL . 1.1 mp -57.96 -39.48 72.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.469 -179.409 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 34.5 mmt180 -68.0 -27.3 66.44 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.488 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -95.69 -8.07 35.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.004 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 0.672 ' HB1' HG21 ' A' ' 136' ' ' VAL . . . -82.34 -73.58 0.39 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.239 -179.166 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 129' ' ' ASP . . . . . 0.486 ' CG ' ' N ' ' A' ' 130' ' ' ILE . 13.6 t0 159.67 -96.33 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.799 0 O-C-N 123.703 0.627 . . . . 0.0 110.267 179.815 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 130' ' ' ILE . . . . . 0.486 ' N ' ' CG ' ' A' ' 129' ' ' ASP . 0.8 OUTLIER . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 115.038 -0.983 . . . . 0.0 110.844 -179.284 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.728 0 N-CA-C 111.889 -0.484 . . . . 0.0 111.889 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 20.0 pt20 -125.46 144.8 50.37 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-O 121.18 0.514 . . . . 0.0 111.096 179.575 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 136' ' ' VAL . . . . . 0.672 HG21 ' HB1' ' A' ' 128' ' ' ALA . 27.1 t -128.83 134.01 65.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.395 -0.82 . . . . 0.0 111.833 -179.456 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 137' ' ' ASN . . . . . 0.582 ' O ' ' ND2' ' A' ' 137' ' ' ASN . 0.4 OUTLIER -91.9 113.44 25.71 Favored 'General case' 0 N--CA 1.452 -0.37 0 N-CA-C 109.23 -0.656 . . . . 0.0 109.23 178.439 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 40.2 p90 -62.98 -8.63 7.62 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 112.394 0.516 . . . . 0.0 112.394 -178.305 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -59.67 -50.14 75.03 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 119.956 -0.698 . . . . 0.0 110.737 -179.329 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -60.82 -39.34 88.61 Favored 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 120.985 -0.286 . . . . 0.0 111.44 -178.901 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -60.79 -43.77 97.69 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 178.892 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 55.1 t -65.09 -46.08 92.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.219 179.108 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 30.4 mt-30 -63.03 -41.02 99.42 Favored 'General case' 0 CA--C 1.519 -0.243 0 N-CA-C 108.968 -0.752 . . . . 0.0 108.968 178.845 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 2.2 ttp -60.66 -47.76 84.79 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.294 -0.866 . . . . 0.0 109.234 178.15 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 9.2 mtm . . . . . 0 C--N 1.326 -0.416 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.777 179.961 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 37.2 t70 . . . . . 0 N--CA 1.464 0.233 0 N-CA-C 112.163 0.431 . . . . 0.0 112.163 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.16 135.18 90.76 Favored Pre-proline 0 CA--C 1.538 0.487 0 C-N-CA 120.659 -0.416 . . . . 0.0 110.802 -178.736 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -70.71 -22.81 27.24 Favored 'Trans proline' 0 N--CA 1.492 1.417 0 C-N-CA 122.187 1.925 . . . . 0.0 112.451 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 75.4 mm-40 -62.57 -39.91 95.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.627 -179.732 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 99.8 m -61.41 -48.91 79.05 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.829 -179.712 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -65.22 -40.97 94.82 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.359 0.6 . . . . 0.0 109.401 179.177 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 24.7 tpt180 -60.59 -45.42 94.05 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.125 -0.943 . . . . 0.0 110.193 179.818 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -61.45 -39.05 89.45 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.85 -0.613 . . . . 0.0 110.344 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -60.6 -38.93 86.31 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.55 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 55.3 t -60.5 -46.35 95.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.272 -179.483 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -61.17 -46.66 89.59 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 120.502 -0.479 . . . . 0.0 110.856 -179.487 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 88.8 mt -64.54 -47.33 89.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-O 120.879 0.371 . . . . 0.0 111.071 179.581 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 47' ' ' GLN . . . . . 0.464 ' OE1' ' N ' ' A' ' 114' ' ' GLU . 76.3 mt-30 -65.85 -40.9 92.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.337 -179.707 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 48.0 t -62.45 -45.12 94.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.034 0.445 . . . . 0.0 110.562 179.832 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 94.7 mm-40 -64.3 -38.12 89.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.183 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 50' ' ' PHE . . . . . 0.626 ' CE2' ' NE2' ' B' ' 54' ' ' GLN . 53.5 t80 -58.07 -47.3 83.59 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.717 -0.393 . . . . 0.0 110.31 -179.87 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 63.4 ttm-85 -60.3 -41.24 92.99 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.227 179.522 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 65.0 tttp -60.16 -39.36 86.16 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.274 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 53' ' ' PHE . . . . . . . . . . . . . 47.8 t80 -58.56 -42.82 88.8 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.122 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 54' ' ' GLN . . . . . 0.626 ' NE2' ' CE2' ' B' ' 50' ' ' PHE . 76.3 mt-30 -62.47 -40.21 95.91 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.27 -179.717 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 21.7 mtmt . . . . . 0 C--N 1.331 -0.217 0 C-N-CA 120.894 -0.322 . . . . 0.0 110.952 -179.789 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 89.6 p . . . . . 0 CA--C 1.522 -0.129 0 CA-C-O 120.92 0.39 . . . . 0.0 110.37 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -54.67 -36.61 64.79 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 -179.426 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 3.0 pp20? -67.46 -31.74 72.11 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.766 179.279 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 15.6 tm-20 -63.14 -47.1 84.18 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-O 121.138 0.494 . . . . 0.0 110.106 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 4.5 mm -67.43 -35.23 72.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.623 -0.717 . . . . 0.0 109.579 178.798 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.572 ' CZ ' ' NH2' ' A' ' 90' ' ' ARG . 56.9 ttp180 -58.06 -38.72 76.85 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.334 -0.848 . . . . 0.0 110.25 -179.875 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -58.82 -41.86 87.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.111 -0.495 . . . . 0.0 109.846 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.42 -38.21 86.29 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.515 179.169 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 35.0 m-85 -72.27 -42.74 65.24 Favored 'General case' 0 C--N 1.332 -0.164 0 C-N-CA 120.441 -0.504 . . . . 0.0 109.833 178.162 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.572 ' NH2' ' CZ ' ' A' ' 86' ' ' ARG . 93.7 mtt180 -45.94 -25.7 0.59 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.602 -178.806 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 54.1 t -61.99 -39.59 84.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 C-N-CA 120.904 -0.319 . . . . 0.0 110.507 178.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 27.5 m-85 -83.33 -25.1 31.78 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 120.763 -0.375 . . . . 0.0 110.454 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.437 ' OD1' ' N ' ' A' ' 96' ' ' GLY . 62.1 t0 -92.13 81.38 5.04 Favored 'General case' 0 C--N 1.332 -0.181 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 178.752 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 65.5 pttt -70.27 -19.4 63.11 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 112.451 0.537 . . . . 0.0 112.451 -179.115 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -92.56 -21.92 19.82 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.751 -179.781 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' GLY . . . . . 0.437 ' N ' ' OD1' ' A' ' 93' ' ' ASP . . . 68.49 36.21 83.22 Favored Glycine 0 CA--C 1.523 0.543 0 N-CA-C 109.846 -1.302 . . . . 0.0 109.846 -179.111 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 56.4 t30 -91.68 -3.18 56.6 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.687 0.279 . . . . 0.0 110.632 -179.802 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 98' ' ' GLY . . . . . 0.406 ' C ' ' CD1' ' A' ' 99' ' ' TYR . . . 93.73 6.98 61.86 Favored Glycine 0 CA--C 1.529 0.917 0 C-N-CA 121.187 -0.53 . . . . 0.0 111.87 179.696 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.473 ' CD1' ' N ' ' A' ' 99' ' ' TYR . 15.1 m-85 -136.97 159.76 40.91 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-O 121.005 0.431 . . . . 0.0 111.403 -179.864 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.44 HD13 HG21 ' A' ' 100' ' ' ILE . 1.7 pt -131.2 146.16 34.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 N-CA-C 108.438 -0.949 . . . . 0.0 108.438 178.701 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 67.6 m -65.58 100.45 0.52 Allowed 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 120.077 -0.649 . . . . 0.0 110.737 -179.494 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.76 ' HB2' HG23 ' A' ' 136' ' ' VAL . . . -40.66 -30.86 0.13 Allowed 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 112.67 0.618 . . . . 0.0 112.67 -178.102 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -61.21 -39.49 90.44 Favored 'General case' 0 C--N 1.323 -0.564 0 C-N-CA 120.529 -0.469 . . . . 0.0 111.301 -179.3 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.595 ' O ' HG23 ' A' ' 108' ' ' VAL . 5.5 pt-20 -73.76 -30.68 62.93 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.694 -0.403 . . . . 0.0 110.861 -179.381 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 3.8 tt -60.05 -49.19 78.65 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.496 -0.482 . . . . 0.0 109.944 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 106' ' ' ARG . . . . . 0.538 ' O ' HG23 ' A' ' 110' ' ' THR . 8.4 tmm_? -57.43 -50.28 73.51 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.5 -0.48 . . . . 0.0 109.978 -179.338 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 73.8 t60 -60.29 -47.16 87.21 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.252 0.549 . . . . 0.0 110.847 179.367 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.595 HG23 ' O ' ' A' ' 104' ' ' GLU . 66.1 t -62.13 -39.06 82.53 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 115.326 -0.852 . . . . 0.0 111.448 -179.737 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.75 -26.44 60.66 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.735 -179.238 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 110' ' ' THR . . . . . 0.538 HG23 ' O ' ' A' ' 106' ' ' ARG . 52.3 p -99.49 -11.94 20.62 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 112.544 0.572 . . . . 0.0 112.544 -178.091 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 27.6 m120 -118.1 -27.09 6.19 Favored 'General case' 0 N--CA 1.47 0.567 0 N-CA-C 113.036 0.754 . . . . 0.0 113.036 -179.042 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.412 HD12 HG13 ' A' ' 108' ' ' VAL . 90.5 mt -113.5 -179.38 3.62 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-O 121.324 0.583 . . . . 0.0 111.585 -179.225 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 62.21 -123.41 31.09 Favored Glycine 0 CA--C 1.525 0.69 0 CA-C-N 115.261 -0.881 . . . . 0.0 112.448 178.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 114' ' ' GLU . . . . . 0.44 ' O ' ' O ' ' A' ' 115' ' ' LYS . 80.3 mm-40 -100.26 15.77 26.52 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.457 -0.371 . . . . 0.0 110.996 -179.49 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.44 ' O ' ' O ' ' A' ' 114' ' ' GLU . 49.0 mttm 46.32 103.47 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.628 -0.715 . . . . 0.0 111.256 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.479 ' N ' HD22 ' A' ' 116' ' ' LEU . 4.3 mm? -91.71 155.35 18.35 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.694 -0.685 . . . . 0.0 109.545 179.166 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 66.9 p -91.43 169.38 10.83 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.257 -0.645 . . . . 0.0 109.257 178.559 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -59.04 -39.29 81.53 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 120.493 -0.483 . . . . 0.0 110.379 -179.43 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -62.37 -44.17 97.1 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.849 -0.34 . . . . 0.0 110.663 179.698 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 120' ' ' GLU . . . . . 0.443 ' HB3' HD12 ' A' ' 116' ' ' LEU . 51.8 mt-10 -67.55 -42.93 81.85 Favored 'General case' 0 C--N 1.332 -0.189 0 C-N-CA 120.804 -0.358 . . . . 0.0 110.617 179.159 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.661 HG12 HD13 ' A' ' 125' ' ' ILE . 53.2 t -63.73 -46.47 94.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.298 179.283 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 68.3 t0 -49.94 -41.48 46.39 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 120.249 -0.58 . . . . 0.0 109.529 -179.388 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 123' ' ' GLU . . . . . 0.537 ' OE1' ' NH2' ' A' ' 126' ' ' ARG . 53.1 tp10 -62.41 -38.7 90.69 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 178.518 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 96.2 mtp -70.51 -38.93 74.37 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.689 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 125' ' ' ILE . . . . . 0.661 HD13 HG12 ' A' ' 121' ' ' VAL . 1.3 mp -60.17 -42.0 88.67 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.332 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.332 -179.029 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 126' ' ' ARG . . . . . 0.537 ' NH2' ' OE1' ' A' ' 123' ' ' GLU . 86.9 mtm180 -66.85 -26.12 66.75 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.873 0.368 . . . . 0.0 110.629 -179.882 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 127' ' ' GLU . . . . . 0.428 ' O ' ' OE2' ' A' ' 140' ' ' GLU . 80.3 mm-40 -95.93 -0.17 51.15 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.913 179.653 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 0.684 ' HB1' HG21 ' A' ' 136' ' ' VAL . . . -91.78 -77.26 0.43 Allowed 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 121.023 -0.271 . . . . 0.0 111.557 -179.082 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 129' ' ' ASP . . . . . 0.426 ' CG ' ' O ' ' A' ' 128' ' ' ALA . 1.2 m-20 168.86 -94.69 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.443 0 CA-C-O 120.919 0.39 . . . . 0.0 110.73 -179.832 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 130' ' ' ILE . . . . . 0.413 ' O ' HG22 ' A' ' 130' ' ' ILE . 22.3 mt . . . . . 0 C--N 1.326 -0.441 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.895 179.794 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.528 0.853 0 N-CA-C 111.827 -0.509 . . . . 0.0 111.827 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 8.7 pt20 -120.41 145.97 46.66 Favored 'General case' 0 N--CA 1.463 0.194 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 178.5 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 136' ' ' VAL . . . . . 0.76 HG23 ' HB2' ' A' ' 102' ' ' ALA . 5.0 t -127.11 134.38 66.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 121.096 0.474 . . . . 0.0 111.95 -178.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 137' ' ' ASN . . . . . 0.428 ' OD1' ' O ' ' A' ' 137' ' ' ASN . 36.5 p-10 -89.56 109.51 20.45 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 108.864 -0.791 . . . . 0.0 108.864 178.31 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 29.9 p90 -64.42 -8.45 13.47 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 120.628 -0.429 . . . . 0.0 111.715 -178.542 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -59.82 -49.95 75.72 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 120.346 -0.542 . . . . 0.0 111.078 -178.836 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 140' ' ' GLU . . . . . 0.462 ' OE2' ' O ' ' A' ' 128' ' ' ALA . 24.2 pt-20 -62.23 -38.11 87.94 Favored 'General case' 0 N--CA 1.463 0.224 0 C-N-CA 120.438 -0.505 . . . . 0.0 110.729 -179.036 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -61.11 -42.61 98.83 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.568 -0.53 . . . . 0.0 109.568 179.153 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 56.0 t -63.23 -41.19 91.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 178.483 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 88.0 mm-40 -61.55 -41.37 97.27 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.175 -0.676 . . . . 0.0 109.175 178.756 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 70.8 mtp -60.08 -44.46 94.75 Favored 'General case' 0 C--N 1.333 -0.116 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 179.015 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 65.3 mtt . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 115.51 -0.768 . . . . 0.0 111.592 -179.798 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 66.7 t0 . . . . . 0 C--O 1.231 0.098 0 N-CA-C 111.532 0.197 . . . . 0.0 111.532 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -59.71 137.58 89.96 Favored Pre-proline 0 CA--C 1.536 0.431 0 C-N-CA 120.583 -0.447 . . . . 0.0 110.401 -179.102 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -70.14 -22.2 30.64 Favored 'Trans proline' 0 N--CA 1.493 1.464 0 C-N-CA 122.332 2.021 . . . . 0.0 112.866 -179.565 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 59.8 mp0 -62.24 -40.29 95.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.477 -179.606 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 95.2 m -62.46 -45.83 91.27 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.792 -0.363 . . . . 0.0 110.228 179.742 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -62.87 -43.06 99.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.106 179.589 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 18.7 mmm180 -63.32 -40.48 97.46 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.502 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -61.86 -40.21 94.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.09 179.71 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -61.68 -39.2 90.57 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.733 179.821 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 53.4 t -60.6 -47.22 93.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.507 -179.173 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -61.77 -45.78 92.42 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.694 -0.402 . . . . 0.0 111.234 -179.274 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 91.6 mt -63.61 -47.81 89.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-O 121.062 0.458 . . . . 0.0 110.573 179.763 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 47' ' ' GLN . . . . . 0.409 ' OE1' ' N ' ' A' ' 114' ' ' GLU . 76.6 mt-30 -66.7 -39.56 88.13 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.426 179.852 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 96.7 p -62.35 -40.76 97.47 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 120.668 -0.413 . . . . 0.0 110.529 -179.502 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 29.3 mm100 -69.23 -37.99 78.29 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.933 179.38 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 50' ' ' PHE . . . . . 0.417 ' CZ ' ' NE2' ' B' ' 54' ' ' GLN . 59.4 t80 -59.3 -49.25 78.54 Favored 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 120.762 -0.375 . . . . 0.0 110.639 -179.296 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 63.3 ttm-85 -61.3 -45.05 96.08 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 120.699 -0.4 . . . . 0.0 110.189 179.72 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -61.29 -41.21 96.57 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 179.548 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 53' ' ' PHE . . . . . . . . . . . . . 91.2 t80 -58.98 -46.19 88.72 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.106 179.678 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 54' ' ' GLN . . . . . 0.417 ' NE2' ' CZ ' ' B' ' 50' ' ' PHE . 91.4 mt-30 -61.9 -40.4 95.32 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.098 -179.798 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 19.1 mmmt . . . . . 0 C--N 1.33 -0.262 0 CA-C-O 120.774 0.321 . . . . 0.0 110.967 -179.242 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 68.7 m . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.548 0.213 . . . . 0.0 111.255 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 3.2 pp20? -53.98 -31.7 51.67 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.184 0.516 . . . . 0.0 110.048 -179.758 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 24.2 pt-20 -69.88 -36.14 75.22 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.186 179.316 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -62.27 -47.49 84.12 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.551 -179.763 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 4.1 mm -65.28 -39.06 84.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 121.293 0.568 . . . . 0.0 109.491 178.651 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 79.9 ttt180 -59.64 -36.81 77.11 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.051 -0.977 . . . . 0.0 110.722 179.859 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -57.02 -41.21 78.15 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.831 -0.433 . . . . 0.0 109.831 -179.467 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -59.86 -34.63 73.37 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.549 179.324 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.402 ' O ' ' N ' ' A' ' 92' ' ' PHE . 60.7 m-85 -73.63 -41.6 62.56 Favored 'General case' 0 C--N 1.332 -0.184 0 C-N-CA 120.469 -0.492 . . . . 0.0 110.194 178.074 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -43.08 -30.11 0.41 Allowed 'General case' 0 CA--C 1.52 -0.179 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.129 -179.203 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 53.1 t -61.94 -41.26 90.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.706 179.616 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.427 ' CD1' ' OE1' ' A' ' 104' ' ' GLU . 23.1 m-85 -82.52 -27.72 31.54 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.495 -0.482 . . . . 0.0 110.056 179.461 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 67.9 t0 -92.02 96.51 10.39 Favored 'General case' 0 C--N 1.333 -0.13 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 178.802 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 60.8 mttt -97.87 -17.28 19.37 Favored 'General case' 0 CA--C 1.514 -0.43 0 CA-C-O 121.096 0.474 . . . . 0.0 110.1 -179.261 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 74.1 m-20 -80.49 -26.95 37.9 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.49 -0.777 . . . . 0.0 109.306 179.023 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 69.66 30.79 70.56 Favored Glycine 0 CA--C 1.523 0.536 0 N-CA-C 110.327 -1.109 . . . . 0.0 110.327 -179.663 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -94.86 -1.35 52.88 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 121.109 -0.236 . . . . 0.0 110.723 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 98' ' ' GLY . . . . . 0.415 ' C ' ' CD1' ' A' ' 99' ' ' TYR . . . 93.64 10.37 59.14 Favored Glycine 0 CA--C 1.529 0.91 0 C-N-CA 120.918 -0.658 . . . . 0.0 111.652 179.823 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.447 ' CD1' ' N ' ' A' ' 99' ' ' TYR . 17.8 m-85 -137.01 158.22 44.95 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-O 121.205 0.526 . . . . 0.0 112.239 -179.497 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.4 HG21 HD13 ' A' ' 100' ' ' ILE . 0.6 OUTLIER -130.41 146.38 34.13 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.093 0 N-CA-C 107.42 -1.326 . . . . 0.0 107.42 177.335 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 43.6 t -59.12 131.04 49.85 Favored 'General case' 0 C--N 1.323 -0.572 0 C-N-CA 119.685 -0.806 . . . . 0.0 109.986 -179.562 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.667 ' HB2' HG23 ' A' ' 136' ' ' VAL . . . -63.64 -36.9 85.36 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.126 0.488 . . . . 0.0 110.607 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -59.52 -41.98 91.22 Favored 'General case' 0 CA--C 1.535 0.388 0 N-CA-C 112.772 0.656 . . . . 0.0 112.772 -178.012 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.502 ' O ' HG23 ' A' ' 108' ' ' VAL . 0.7 OUTLIER -66.48 -28.66 68.75 Favored 'General case' 0 N--CA 1.465 0.299 0 C-N-CA 120.261 -0.576 . . . . 0.0 110.686 -179.289 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 1.8 tt -61.9 -48.58 79.81 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.064 -179.729 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 106' ' ' ARG . . . . . 0.547 ' CD ' HG11 ' A' ' 121' ' ' VAL . 14.5 tpt180 -55.9 -51.08 68.88 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.421 -179.812 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 107' ' ' HIS . . . . . 0.575 ' CE1' ' ND2' ' A' ' 111' ' ' ASN . 81.3 t60 -64.63 -47.72 77.5 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.18 0.514 . . . . 0.0 111.637 179.551 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.502 HG23 ' O ' ' A' ' 104' ' ' GLU . 53.1 t -62.45 -39.19 83.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.717 -0.674 . . . . 0.0 112.815 -178.707 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.11 -29.56 65.41 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 120.681 -0.408 . . . . 0.0 111.608 -179.378 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 110' ' ' THR . . . . . 0.664 ' CG2' HG21 ' A' ' 121' ' ' VAL . 57.2 p -105.55 -13.2 15.68 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 112.474 0.546 . . . . 0.0 112.474 -178.092 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 111' ' ' ASN . . . . . 0.575 ' ND2' ' CE1' ' A' ' 107' ' ' HIS . 65.0 t30 -104.15 -38.23 7.0 Favored 'General case' 0 N--CA 1.464 0.261 0 N-CA-C 112.051 0.389 . . . . 0.0 112.051 -179.348 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 84.5 mt -111.21 -178.69 3.52 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.194 0.521 . . . . 0.0 111.476 -179.128 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 64.27 -123.37 27.57 Favored Glycine 0 CA--C 1.525 0.673 0 CA-C-N 115.322 -0.854 . . . . 0.0 112.679 178.836 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 114' ' ' GLU . . . . . 0.427 ' O ' ' O ' ' A' ' 115' ' ' LYS . 98.6 mt-10 -100.92 12.81 36.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.009 0.433 . . . . 0.0 111.196 -179.046 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.427 ' O ' ' O ' ' A' ' 114' ' ' GLU . 92.7 mttt 48.99 103.31 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.641 -0.708 . . . . 0.0 111.023 179.795 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.577 HD12 ' HB3' ' A' ' 120' ' ' GLU . 4.5 mm? -92.79 157.73 16.26 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.096 179.821 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 117' ' ' THR . . . . . 0.478 ' O ' HG23 ' A' ' 121' ' ' VAL . 69.2 p -91.53 169.87 10.4 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 109.697 -0.483 . . . . 0.0 109.697 178.903 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -59.56 -39.99 85.84 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.754 -0.378 . . . . 0.0 110.583 -179.565 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 53.2 tp10 -62.27 -43.25 99.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.34 179.818 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 120' ' ' GLU . . . . . 0.577 ' HB3' HD12 ' A' ' 116' ' ' LEU . 77.6 mm-40 -67.94 -41.41 82.56 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.002 0.429 . . . . 0.0 110.302 179.134 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.664 HG21 ' CG2' ' A' ' 110' ' ' THR . 71.2 t -66.07 -44.04 92.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.569 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 68.1 t0 -57.59 -42.76 83.83 Favored 'General case' 0 C--N 1.323 -0.548 0 C-N-CA 120.226 -0.59 . . . . 0.0 109.949 -178.714 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 53.7 tp10 -62.05 -39.53 92.69 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 178.847 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 124' ' ' MET . . . . . 0.615 ' SD ' ' CD1' ' B' ' 50' ' ' PHE . 47.4 mmm -64.87 -39.46 93.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.053 179.099 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 125' ' ' ILE . . . . . 0.539 HD13 HG12 ' A' ' 121' ' ' VAL . 0.8 OUTLIER -61.87 -40.49 87.28 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.148 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.055 -179.275 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 12.6 tpt180 -60.98 -30.1 70.07 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.043 0.449 . . . . 0.0 109.811 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 -96.4 -1.8 46.87 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.402 179.094 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 0.438 ' O ' ' OD1' ' A' ' 129' ' ' ASP . . . -90.42 -78.75 0.37 Allowed 'General case' 0 CA--C 1.531 0.223 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.178 -179.299 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 129' ' ' ASP . . . . . 0.438 ' OD1' ' O ' ' A' ' 128' ' ' ALA . 3.7 m-20 166.59 -92.67 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.505 0 CA-C-O 120.872 0.367 . . . . 0.0 111.849 179.77 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 130' ' ' ILE . . . . . 0.716 ' O ' HG22 ' A' ' 130' ' ' ILE . 96.1 mt . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.268 -177.688 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.91 0 N-CA-C 112.245 -0.342 . . . . 0.0 112.245 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 16.1 pt20 -125.41 149.51 48.11 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-O 121.178 0.513 . . . . 0.0 110.868 179.535 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 136' ' ' VAL . . . . . 0.667 HG23 ' HB2' ' A' ' 102' ' ' ALA . 25.4 t -132.49 134.65 58.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 115.368 -0.833 . . . . 0.0 111.995 -179.097 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 137' ' ' ASN . . . . . 0.612 ' O ' ' ND2' ' A' ' 137' ' ' ASN . 0.5 OUTLIER -91.08 111.18 22.54 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.694 -0.685 . . . . 0.0 109.525 178.731 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 39.0 p90 -63.23 -8.7 8.86 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.568 -0.453 . . . . 0.0 111.583 -178.703 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 74.0 mm-40 -59.89 -49.83 76.14 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 120.156 -0.618 . . . . 0.0 110.978 -179.346 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 75.7 mm-40 -61.05 -39.37 89.58 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 120.709 0.29 . . . . 0.0 111.384 -179.102 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -63.03 -42.83 99.86 Favored 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 120.488 -0.485 . . . . 0.0 110.201 179.156 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 55.1 t -64.14 -39.2 84.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.599 179.021 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 28.8 mm100 -59.89 -43.07 95.01 Favored 'General case' 0 C--N 1.331 -0.201 0 C-N-CA 120.234 -0.587 . . . . 0.0 109.587 179.714 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 73.3 mtm -61.27 -42.71 99.11 Favored 'General case' 0 C--N 1.333 -0.122 0 C-N-CA 119.979 -0.688 . . . . 0.0 109.158 178.748 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 56.3 mtt . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 115.597 -0.729 . . . . 0.0 111.441 -179.859 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.808 0.337 . . . . 0.0 110.565 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -67.06 131.55 93.73 Favored Pre-proline 0 CA--C 1.537 0.466 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.27 -179.826 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -70.92 -21.49 28.03 Favored 'Trans proline' 0 N--CA 1.493 1.442 0 C-N-CA 121.978 1.786 . . . . 0.0 112.691 -179.762 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -62.57 -40.31 96.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.926 -179.512 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 96.7 m -62.4 -45.15 94.42 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.548 -179.75 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -61.88 -43.53 98.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.154 179.802 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 18.2 mmm180 -63.4 -40.52 97.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.65 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -61.92 -40.75 96.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.584 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -61.86 -39.48 92.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.661 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 53.5 t -61.47 -45.17 99.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.473 -179.464 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -60.83 -46.98 88.42 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.627 -0.429 . . . . 0.0 111.032 -179.279 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 92.1 mt -67.32 -47.68 80.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 C-N-CA 120.82 -0.352 . . . . 0.0 111.166 179.811 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 77.1 mt-30 -65.52 -41.14 93.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.985 -179.741 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 48.2 t -62.4 -44.21 97.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.101 0.477 . . . . 0.0 110.061 179.537 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 72.2 tp60 -63.38 -38.34 90.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.501 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 50' ' ' PHE . . . . . 0.615 ' CD1' ' SD ' ' A' ' 124' ' ' MET . 44.9 t80 -58.71 -48.05 82.47 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.374 -179.173 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 83.2 mtp180 -61.24 -41.0 96.13 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.356 -0.538 . . . . 0.0 110.306 -179.747 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 65.2 tttp -62.14 -41.57 98.4 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 179.122 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 53' ' ' PHE . . . . . . . . . . . . . 90.2 t80 -59.34 -45.88 90.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.608 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 54' ' ' GLN . . . . . 0.4 ' NE2' ' OE1' ' A' ' 120' ' ' GLU . 87.5 mt-30 -61.29 -39.42 90.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.759 -179.396 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 98.1 mttt . . . . . 0 C--N 1.329 -0.318 0 C-N-CA 120.799 -0.361 . . . . 0.0 110.356 179.916 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 90.7 p . . . . . 0 N--CA 1.465 0.315 0 CA-C-O 120.927 0.394 . . . . 0.0 110.445 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -53.25 -38.28 62.85 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 -179.582 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 22.1 pt-20 -64.0 -34.61 78.39 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.6 179.505 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -62.13 -47.9 82.54 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-O 120.916 0.388 . . . . 0.0 110.647 -179.374 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 4.3 mm -65.28 -38.39 82.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.042 -0.526 . . . . 0.0 109.827 179.045 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 42.1 ttm180 -59.3 -38.38 80.1 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.448 -0.796 . . . . 0.0 111.001 179.684 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 53.6 tp10 -56.64 -39.16 73.21 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 -179.625 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.54 -36.49 78.55 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.712 179.496 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 71.9 m-85 -75.88 -40.26 54.88 Favored 'General case' 0 C--N 1.332 -0.19 0 C-N-CA 120.686 -0.406 . . . . 0.0 110.69 178.625 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -49.31 -27.86 4.3 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.659 -178.318 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 55.1 t -61.41 -39.59 83.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 C-N-CA 121.063 -0.255 . . . . 0.0 110.782 179.102 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 28.8 m-85 -85.5 -22.47 28.17 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.649 -0.421 . . . . 0.0 111.079 -179.577 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 63.9 t0 -89.03 74.69 8.08 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 179.264 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 64.2 pttt -71.39 -28.21 63.87 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.925 0.393 . . . . 0.0 111.476 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -72.42 -25.84 61.63 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.83 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 69.36 27.16 73.89 Favored Glycine 0 CA--C 1.526 0.747 0 N-CA-C 110.625 -0.99 . . . . 0.0 110.625 -179.798 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -92.52 -3.01 55.78 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.677 0.275 . . . . 0.0 110.889 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 97.24 -5.67 63.17 Favored Glycine 0 CA--C 1.528 0.873 0 N-CA-C 111.433 -0.667 . . . . 0.0 111.433 -179.83 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.501 ' CD1' ' N ' ' A' ' 99' ' ' TYR . 12.8 m-85 -122.34 160.41 25.43 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.103 0.478 . . . . 0.0 111.378 -178.63 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -131.67 145.9 34.33 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 N-CA-C 108.079 -1.082 . . . . 0.0 108.079 178.527 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 68.8 m -57.52 130.02 44.44 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 120.028 -0.669 . . . . 0.0 110.448 -179.342 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.457 ' HB2' HG23 ' A' ' 136' ' ' VAL . . . -63.33 -39.72 95.34 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.118 0.485 . . . . 0.0 110.769 179.778 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -57.44 -42.93 83.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.683 -0.69 . . . . 0.0 109.734 -178.843 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 -60.03 -39.24 85.22 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.073 179.111 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 13.2 tp -59.58 -47.86 83.93 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.671 0.272 . . . . 0.0 110.456 -178.886 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 106' ' ' ARG . . . . . 0.694 ' NH1' HG21 ' A' ' 110' ' ' THR . 44.9 tpt85 -57.05 -49.5 75.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.562 -0.29 . . . . 0.0 110.534 -179.367 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 107' ' ' HIS . . . . . 0.505 ' O ' ' N ' ' A' ' 111' ' ' ASN . 85.7 t60 -63.11 -49.12 75.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.105 0.479 . . . . 0.0 111.602 179.538 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 50.8 t -62.16 -38.63 81.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.691 -0.686 . . . . 0.0 112.658 -179.06 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 109' ' ' MET . . . . . 0.405 ' N ' ' SD ' ' A' ' 109' ' ' MET . 0.0 OUTLIER -68.97 -32.67 72.43 Favored 'General case' 0 C--N 1.321 -0.634 0 C-N-CA 120.723 -0.391 . . . . 0.0 111.377 -179.657 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 110' ' ' THR . . . . . 0.694 HG21 ' NH1' ' A' ' 106' ' ' ARG . 41.0 p -106.24 -12.06 15.84 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 112.648 0.61 . . . . 0.0 112.648 -177.799 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 111' ' ' ASN . . . . . 0.505 ' N ' ' O ' ' A' ' 107' ' ' HIS . 6.7 t-20 -103.88 -33.65 8.79 Favored 'General case' 0 N--CA 1.466 0.342 0 C-N-CA 120.701 -0.399 . . . . 0.0 112.051 -179.564 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 84.2 mt -116.97 -177.76 3.28 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.403 0.621 . . . . 0.0 111.512 -178.795 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 62.45 -127.17 39.25 Favored Glycine 0 CA--C 1.526 0.721 0 CA-C-N 114.983 -1.008 . . . . 0.0 112.571 178.862 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 114' ' ' GLU . . . . . 0.485 ' N ' ' OE1' ' B' ' 47' ' ' GLN . 80.5 mm-40 -92.89 9.33 35.88 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.996 0.427 . . . . 0.0 111.22 -178.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 10.8 mmmt 52.39 100.09 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.452 179.549 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.635 HD12 ' HB3' ' A' ' 120' ' ' GLU . 4.5 mm? -90.93 156.36 18.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.28 179.858 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 67.6 p -92.66 171.01 9.28 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.8 -0.445 . . . . 0.0 109.8 178.862 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 118' ' ' ASP . . . . . 0.518 ' OD1' ' NH2' ' A' ' 106' ' ' ARG . 98.5 m-20 -60.28 -40.16 89.43 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 120.604 -0.438 . . . . 0.0 110.262 -179.866 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -61.4 -43.16 99.34 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.669 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 120' ' ' GLU . . . . . 0.635 ' HB3' HD12 ' A' ' 116' ' ' LEU . 14.4 mm-40 -69.35 -45.0 70.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.955 0.407 . . . . 0.0 110.728 179.406 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.704 HG12 HD13 ' A' ' 125' ' ' ILE . 82.8 t -64.85 -42.83 95.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.48 -179.444 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -49.79 -41.36 44.29 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 120.313 -0.555 . . . . 0.0 110.395 -177.721 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 78.9 mm-40 -66.55 -31.42 72.12 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.22 0.533 . . . . 0.0 109.78 178.686 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 94.6 mtp -76.06 -30.31 58.33 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.084 179.489 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 125' ' ' ILE . . . . . 0.704 HD13 HG12 ' A' ' 121' ' ' VAL . 1.0 OUTLIER -61.2 -41.6 90.16 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.149 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.965 -179.35 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 20.8 mmm-85 -61.79 -63.58 1.22 Allowed 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.228 -0.589 . . . . 0.0 110.142 -179.519 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 127' ' ' GLU . . . . . 0.436 ' O ' ' OE2' ' A' ' 140' ' ' GLU . 79.9 mm-40 -60.07 -6.96 1.56 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.434 -178.644 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 0.596 ' HB1' ' CG2' ' A' ' 136' ' ' VAL . . . -77.9 -75.66 0.21 Allowed 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.834 -0.347 . . . . 0.0 110.887 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 129' ' ' ASP . . . . . 0.464 ' CG ' ' N ' ' A' ' 130' ' ' ILE . 2.4 t70 162.91 -85.05 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.35 0 CA-C-O 121.425 0.631 . . . . 0.0 110.616 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 130' ' ' ILE . . . . . 0.464 ' N ' ' CG ' ' A' ' 129' ' ' ASP . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.496 0 CA-C-N 114.956 -1.02 . . . . 0.0 110.982 -179.056 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.528 0.863 0 CA-C-O 120.034 -0.314 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 135' ' ' GLN . . . . . 0.42 ' O ' ' OD2' ' A' ' 129' ' ' ASP . 1.0 OUTLIER -128.72 151.0 50.03 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 121.353 0.597 . . . . 0.0 111.288 179.59 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 136' ' ' VAL . . . . . 0.596 ' CG2' ' HB1' ' A' ' 128' ' ' ALA . 27.3 t -132.45 134.06 59.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.187 -0.915 . . . . 0.0 111.949 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 51.7 t30 -91.99 110.94 22.31 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 108.645 -0.872 . . . . 0.0 108.645 178.663 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 33.2 p90 -65.0 -10.11 26.95 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 112.659 0.614 . . . . 0.0 112.659 -178.182 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -60.86 -50.5 73.19 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 119.984 -0.686 . . . . 0.0 111.793 -178.654 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 140' ' ' GLU . . . . . 0.436 ' OE2' ' O ' ' A' ' 127' ' ' GLU . 20.9 pt-20 -63.52 -36.91 85.35 Favored 'General case' 0 N--CA 1.465 0.286 0 C-N-CA 120.616 -0.434 . . . . 0.0 111.187 -178.904 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -62.1 -47.08 86.21 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 178.583 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 59.4 t -62.97 -43.88 99.32 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.796 179.537 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -62.13 -40.95 97.64 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 108.442 -0.947 . . . . 0.0 108.442 178.891 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 2.0 ttp -63.75 -48.25 77.73 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.106 -0.952 . . . . 0.0 109.551 178.13 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 62.4 mtt . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.424 179.794 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 . . . . . 0 C--O 1.23 0.06 0 CA-C-O 120.561 0.219 . . . . 0.0 111.107 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -92.35 112.09 53.64 Favored Pre-proline 0 CA--C 1.539 0.53 0 CA-C-N 116.548 -0.297 . . . . 0.0 110.669 -179.665 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_exo -52.26 -35.12 62.57 Favored 'Trans proline' 0 N--CA 1.497 1.718 0 C-N-CA 121.778 1.652 . . . . 0.0 112.197 179.288 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 78.8 mm-40 -61.23 -40.21 93.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.455 -179.366 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 97.2 m -61.82 -46.44 89.47 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.77 -0.372 . . . . 0.0 110.262 179.792 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -64.49 -40.44 95.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.529 179.627 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 30.9 mmt180 -63.57 -39.93 95.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.548 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -61.48 -40.66 95.34 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.263 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -61.95 -40.45 95.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.737 179.787 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 57.8 t -61.4 -47.75 91.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.338 -179.381 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 45' ' ' ALA . . . . . 0.455 ' O ' ' OE1' ' B' ' 49' ' ' GLN . . . -62.38 -45.1 94.69 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.775 -0.37 . . . . 0.0 111.063 -179.531 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 93.8 mt -63.06 -46.96 94.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-O 120.924 0.392 . . . . 0.0 110.498 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 47' ' ' GLN . . . . . 0.485 ' OE1' ' N ' ' A' ' 114' ' ' GLU . 76.7 mt-30 -65.76 -37.96 87.76 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.835 -0.62 . . . . 0.0 111.387 179.492 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 48' ' ' SER . . . . . 0.52 ' OG ' ' NZ ' ' B' ' 52' ' ' LYS . 48.4 t -59.53 -45.95 90.28 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.769 -0.373 . . . . 0.0 110.642 -179.291 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 49' ' ' GLN . . . . . 0.455 ' OE1' ' O ' ' B' ' 45' ' ' ALA . 7.3 mp0 -64.96 -36.15 83.48 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.785 -0.366 . . . . 0.0 111.068 179.488 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 59.3 t80 -59.06 -47.8 83.93 Favored 'General case' 0 C--N 1.332 -0.159 0 C-N-CA 120.481 -0.488 . . . . 0.0 110.085 179.808 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 51' ' ' ARG . . . . . 0.437 ' HE ' ' HZ3' ' B' ' 55' ' ' LYS . 82.0 mtp180 -62.17 -40.45 96.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.929 0.395 . . . . 0.0 110.273 179.645 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 52' ' ' LYS . . . . . 0.52 ' NZ ' ' OG ' ' B' ' 48' ' ' SER . 62.7 mttp -63.98 -38.52 91.37 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.953 179.55 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 53' ' ' PHE . . . . . . . . . . . . . 68.1 t80 -59.31 -49.02 79.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.297 -178.854 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 17.9 pt20 -71.35 -38.14 71.62 Favored 'General case' 0 C--N 1.331 -0.212 0 C-N-CA 120.613 -0.435 . . . . 0.0 111.546 -179.445 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 55' ' ' LYS . . . . . 0.437 ' HZ3' ' HE ' ' B' ' 51' ' ' ARG . 62.1 mttp . . . . . 0 C--N 1.331 -0.237 0 C-N-CA 120.642 -0.423 . . . . 0.0 110.838 179.415 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 70.9 m . . . . . 0 CA--C 1.524 -0.056 0 CA-C-O 120.664 0.269 . . . . 0.0 110.724 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.475 ' CD ' ' N ' ' A' ' 83' ' ' GLU . 3.2 pp20? -58.45 -35.2 71.78 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 120.271 -0.572 . . . . 0.0 109.831 179.892 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.475 ' N ' ' CD ' ' A' ' 82' ' ' GLU . 0.5 OUTLIER -68.3 -36.28 79.09 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.51 179.198 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -62.51 -41.37 98.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.081 0.467 . . . . 0.0 109.94 179.515 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 38.5 mm -64.81 -42.42 94.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.381 179.278 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -59.88 -36.05 76.12 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.143 -179.648 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -55.87 -40.29 72.74 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.4 -36.87 81.5 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.568 178.901 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 68.8 m-85 -75.75 -42.78 49.48 Favored 'General case' 0 C--O 1.231 0.118 0 C-N-CA 120.567 -0.453 . . . . 0.0 110.529 178.683 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -48.21 -24.27 1.11 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.5 -178.62 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 55.3 t -62.34 -39.46 84.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-O 120.709 0.29 . . . . 0.0 110.466 178.588 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 27.0 m-85 -87.68 -26.54 22.94 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.367 -0.378 . . . . 0.0 110.874 -179.695 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 45.4 t0 -88.71 71.4 8.75 Favored 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 179.254 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 26.4 pttm -71.1 -20.13 62.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.857 0.361 . . . . 0.0 111.738 -179.695 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -80.0 -26.55 39.85 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.502 179.77 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 69.14 29.42 72.18 Favored Glycine 0 CA--C 1.526 0.742 0 N-CA-C 110.642 -0.983 . . . . 0.0 110.642 -179.806 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 97' ' ' ASN . . . . . 0.423 ' OD1' ' N ' ' A' ' 99' ' ' TYR . 54.8 p30 -94.71 -0.51 54.25 Favored 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 120.972 -0.291 . . . . 0.0 110.663 179.571 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 92.94 8.55 61.71 Favored Glycine 0 CA--C 1.529 0.939 0 C-N-CA 121.129 -0.558 . . . . 0.0 111.866 179.627 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.457 ' CD1' ' N ' ' A' ' 99' ' ' TYR . 16.9 m-85 -136.22 158.16 45.08 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-O 121.076 0.465 . . . . 0.0 111.5 -179.841 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -131.34 146.49 33.64 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.111 0 N-CA-C 108.031 -1.1 . . . . 0.0 108.031 178.168 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 36.2 t -59.06 130.29 46.27 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 119.794 -0.763 . . . . 0.0 110.158 -179.761 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.716 ' HB2' HG23 ' A' ' 136' ' ' VAL . . . -64.06 -38.4 90.94 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.918 0.39 . . . . 0.0 110.951 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -60.34 -41.57 93.89 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.092 -0.504 . . . . 0.0 112.283 -178.403 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.623 ' O ' HG23 ' A' ' 108' ' ' VAL . 4.3 pt-20 -69.08 -31.02 69.46 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.455 -0.498 . . . . 0.0 110.522 -179.16 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 4.1 tt -61.32 -49.23 77.83 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.2 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 106' ' ' ARG . . . . . 0.435 ' HE ' HG11 ' A' ' 121' ' ' VAL . 0.0 OUTLIER -57.13 -51.03 70.93 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 120.611 -0.435 . . . . 0.0 110.255 -179.77 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 107' ' ' HIS . . . . . 0.511 ' CE1' ' ND2' ' A' ' 111' ' ' ASN . 78.1 t60 -59.54 -46.57 88.5 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.25 0.547 . . . . 0.0 110.419 179.279 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.623 HG23 ' O ' ' A' ' 104' ' ' GLU . 58.0 t -62.77 -39.37 84.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 115.396 -0.82 . . . . 0.0 111.313 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.74 -29.67 64.78 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.901 -0.591 . . . . 0.0 111.804 -179.64 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 110' ' ' THR . . . . . 0.492 ' CG2' HG21 ' A' ' 121' ' ' VAL . 64.1 p -104.88 -15.61 15.12 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 112.275 0.472 . . . . 0.0 112.275 -178.392 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 111' ' ' ASN . . . . . 0.511 ' ND2' ' CE1' ' A' ' 107' ' ' HIS . 60.0 t30 -106.16 -26.51 11.55 Favored 'General case' 0 N--CA 1.465 0.291 0 N-CA-C 112.29 0.478 . . . . 0.0 112.29 -178.9 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 77.6 mt -121.86 -178.26 3.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.395 0.617 . . . . 0.0 111.67 -178.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 61.7 -123.66 32.37 Favored Glycine 0 CA--C 1.524 0.614 0 CA-C-N 114.897 -1.047 . . . . 0.0 112.381 178.892 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 114' ' ' GLU . . . . . 0.5 ' N ' ' OE1' ' B' ' 47' ' ' GLN . 79.6 mm-40 -97.15 12.32 33.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.813 0.339 . . . . 0.0 111.23 -179.106 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.457 ' O ' ' O ' ' A' ' 114' ' ' GLU . 51.3 mttp 47.58 104.1 0.0 OUTLIER 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.749 -0.659 . . . . 0.0 111.043 179.544 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.621 HD12 ' HB3' ' A' ' 120' ' ' GLU . 4.5 mm? -92.57 156.14 17.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.245 179.891 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 117' ' ' THR . . . . . 0.61 ' O ' HG23 ' A' ' 121' ' ' VAL . 69.9 p -91.7 170.4 9.94 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 109.835 -0.432 . . . . 0.0 109.835 179.292 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -59.04 -41.5 88.0 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.747 -0.381 . . . . 0.0 110.763 -179.072 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -63.14 -42.58 99.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.577 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 120' ' ' GLU . . . . . 0.621 ' HB3' HD12 ' A' ' 116' ' ' LEU . 76.3 mm-40 -67.09 -39.64 86.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.279 0.561 . . . . 0.0 109.727 178.658 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.61 HG23 ' O ' ' A' ' 117' ' ' THR . 51.6 t -61.06 -44.69 98.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.182 -0.917 . . . . 0.0 110.765 179.659 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -57.96 -42.14 84.33 Favored 'General case' 0 C--N 1.32 -0.685 0 C-N-CA 120.319 -0.552 . . . . 0.0 109.804 -179.467 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -63.11 -40.07 96.54 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 178.689 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 124' ' ' MET . . . . . 0.601 ' SD ' ' CD1' ' B' ' 50' ' ' PHE . 36.5 mmm -65.34 -41.15 94.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.055 -0.975 . . . . 0.0 110.702 -179.882 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 125' ' ' ILE . . . . . 0.454 HD13 HG12 ' A' ' 121' ' ' VAL . 0.9 OUTLIER -68.13 -34.87 69.06 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.155 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.658 -179.717 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 61.6 ttp180 -60.34 -33.77 72.89 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.067 0.461 . . . . 0.0 110.355 179.866 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 -96.42 -3.49 43.42 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.0 179.448 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 0.404 ' O ' ' CG ' ' A' ' 129' ' ' ASP . . . -86.3 -75.61 0.38 Allowed 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 112.048 0.388 . . . . 0.0 112.048 -178.607 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 129' ' ' ASP . . . . . 0.404 ' CG ' ' O ' ' A' ' 128' ' ' ALA . 1.0 OUTLIER 168.97 -90.26 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.442 0 CA-C-O 121.128 0.489 . . . . 0.0 112.267 -179.818 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 130' ' ' ILE . . . . . 0.729 ' O ' HG22 ' A' ' 130' ' ' ILE . 68.9 mt . . . . . 0 C--N 1.325 -0.474 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.929 -177.843 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.953 0 N-CA-C 111.995 -0.442 . . . . 0.0 111.995 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 12.0 pt20 -125.68 151.47 46.53 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-O 121.119 0.485 . . . . 0.0 110.633 179.249 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 136' ' ' VAL . . . . . 0.716 HG23 ' HB2' ' A' ' 102' ' ' ALA . 43.9 t -128.12 134.46 65.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.455 -0.793 . . . . 0.0 111.84 -178.809 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 137' ' ' ASN . . . . . 0.44 ' OD1' ' O ' ' A' ' 137' ' ' ASN . 37.6 p-10 -93.08 110.71 22.19 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.574 178.491 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 37.8 p90 -60.96 -7.6 2.56 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.79 -0.364 . . . . 0.0 111.813 -178.783 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -59.94 -49.64 76.88 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 120.028 -0.669 . . . . 0.0 110.581 -179.28 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -60.55 -42.09 95.85 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 121.01 -0.276 . . . . 0.0 111.057 -179.229 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -59.63 -47.69 84.6 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 179.122 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 54.3 t -62.93 -44.43 99.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.099 179.424 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -61.86 -40.34 95.0 Favored 'General case' 0 N--CA 1.454 -0.238 0 N-CA-C 108.315 -0.995 . . . . 0.0 108.315 178.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 5.9 ttp -62.01 -47.9 82.7 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 114.813 -1.085 . . . . 0.0 109.701 178.132 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 64.9 mtt . . . . . 0 C--N 1.329 -0.283 0 N-CA-C 112.002 0.371 . . . . 0.0 112.002 179.937 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 55.5 p30 . . . . . 0 N--CA 1.456 -0.126 0 CA-C-O 120.905 0.383 . . . . 0.0 110.215 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -90.35 113.7 58.44 Favored Pre-proline 0 CA--C 1.539 0.542 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.193 179.704 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 80.0 Cg_exo -50.54 -32.65 35.82 Favored 'Trans proline' 0 N--CA 1.498 1.772 0 C-N-CA 121.9 1.733 . . . . 0.0 112.305 179.289 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -60.87 -39.17 88.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.818 -179.424 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 93.9 m -61.9 -43.81 98.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.849 0.357 . . . . 0.0 110.388 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -61.98 -40.26 95.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.652 -179.61 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 31.7 mmt180 -63.2 -39.88 95.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.798 0.332 . . . . 0.0 110.28 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -61.87 -39.86 93.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.219 179.58 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -61.02 -39.58 90.31 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.624 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 57.5 t -61.34 -46.6 96.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.488 -179.381 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -61.36 -45.78 92.98 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.597 -0.441 . . . . 0.0 110.978 -179.417 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 92.2 mt -64.09 -47.42 90.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.853 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 47' ' ' GLN . . . . . 0.5 ' OE1' ' N ' ' A' ' 114' ' ' GLU . 77.3 mt-30 -66.24 -39.1 89.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.355 179.85 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 74.5 m -61.24 -42.28 98.34 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.863 -0.335 . . . . 0.0 110.6 -179.635 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 96.8 mm-40 -64.71 -39.18 93.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.464 179.604 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 50' ' ' PHE . . . . . 0.601 ' CD1' ' SD ' ' A' ' 124' ' ' MET . 47.3 t80 -58.97 -47.37 85.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.639 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 89.1 mtm180 -60.94 -40.3 92.75 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.587 -0.445 . . . . 0.0 110.042 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 62.9 mttp -65.32 -39.2 92.16 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.929 179.626 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 53' ' ' PHE . . . . . . . . . . . . . 71.8 t80 -60.28 -49.44 77.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.662 -178.818 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 -68.3 -28.14 66.92 Favored 'General case' 0 C--N 1.332 -0.192 0 C-N-CA 120.751 -0.38 . . . . 0.0 111.099 -179.532 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 17.6 mmmt . . . . . 0 C--N 1.329 -0.321 0 CA-C-O 120.901 0.382 . . . . 0.0 110.198 179.149 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 67.5 m . . . . . 0 N--CA 1.463 0.18 0 CA-C-O 120.959 0.409 . . . . 0.0 110.434 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -56.58 -39.25 73.21 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.368 -0.604 . . . . 0.0 109.368 -179.527 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.407 ' CG ' ' N ' ' A' ' 84' ' ' GLU . 22.8 pt-20 -64.47 -38.14 89.98 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.559 179.508 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.407 ' N ' ' CG ' ' A' ' 83' ' ' GLU . 98.0 mt-10 -62.9 -46.29 88.53 Favored 'General case' 0 C--O 1.232 0.143 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.436 -179.226 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 4.2 mm -67.77 -39.01 81.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 178.662 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 41.8 ttm180 -59.56 -37.53 78.7 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.076 -0.965 . . . . 0.0 110.434 179.288 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -56.27 -39.88 73.35 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.634 -179.645 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -59.44 -32.74 70.49 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.539 179.344 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.437 ' O ' ' OD1' ' A' ' 93' ' ' ASP . 84.4 m-85 -79.73 -38.92 32.27 Favored 'General case' 0 CA--C 1.53 0.18 0 C-N-CA 120.656 -0.418 . . . . 0.0 110.064 178.144 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -53.86 -25.73 21.19 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.715 -178.671 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 54.9 t -60.43 -38.35 77.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 178.41 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 10.0 m-85 -88.88 -24.19 22.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.305 179.762 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.534 ' N ' ' OD1' ' A' ' 93' ' ' ASP . 0.0 OUTLIER -86.36 75.08 9.86 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-O 121.335 0.588 . . . . 0.0 110.174 179.921 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 19.5 mtpt -92.29 -18.81 22.87 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 59.8 t0 -70.54 -28.45 64.93 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.499 -0.773 . . . . 0.0 109.489 178.828 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 72.29 18.8 78.37 Favored Glycine 0 CA--C 1.526 0.758 0 CA-C-N 115.63 -0.714 . . . . 0.0 111.329 179.385 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 52.1 p-10 -90.65 -3.87 57.2 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.701 -0.4 . . . . 0.0 111.384 -179.788 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 95.42 -6.64 68.36 Favored Glycine 0 CA--C 1.53 0.998 0 N-CA-C 111.489 -0.644 . . . . 0.0 111.489 179.79 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.469 ' CD1' ' N ' ' A' ' 99' ' ' TYR . 12.0 m-85 -123.5 161.24 25.28 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.05 0.452 . . . . 0.0 111.366 -178.663 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.463 HG22 ' OD1' ' A' ' 93' ' ' ASP . 0.2 OUTLIER -128.22 141.48 46.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 N-CA-C 107.584 -1.265 . . . . 0.0 107.584 177.889 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 70.8 m -60.08 135.65 57.78 Favored 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 119.807 -0.757 . . . . 0.0 110.034 -179.386 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.486 ' HB2' HG23 ' A' ' 136' ' ' VAL . . . -63.6 -36.79 84.97 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.081 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -60.13 -41.65 93.12 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 112.281 0.475 . . . . 0.0 112.281 -178.519 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.686 ' O ' HG23 ' A' ' 108' ' ' VAL . 4.7 pt-20 -68.21 -32.16 72.17 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.351 -0.54 . . . . 0.0 110.333 -179.34 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 2.7 tt -61.8 -47.86 83.23 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.634 -0.506 . . . . 0.0 109.634 179.356 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 106' ' ' ARG . . . . . 0.529 ' NH1' HG21 ' A' ' 110' ' ' THR . 29.3 tpt85 -55.79 -50.59 70.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.212 -179.137 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 107' ' ' HIS . . . . . 0.616 ' CE1' ' ND2' ' A' ' 111' ' ' ASN . 82.7 t60 -63.28 -46.48 86.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.296 0.569 . . . . 0.0 110.882 179.08 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.686 HG23 ' O ' ' A' ' 104' ' ' GLU . 63.9 t -62.13 -41.75 92.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 115.178 -0.919 . . . . 0.0 111.884 -179.105 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.49 -28.29 62.8 Favored 'General case' 0 N--CA 1.465 0.322 0 N-CA-C 111.843 0.312 . . . . 0.0 111.843 -179.339 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 110' ' ' THR . . . . . 0.529 HG21 ' NH1' ' A' ' 106' ' ' ARG . 58.4 p -104.47 -16.25 15.13 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 120.679 -0.409 . . . . 0.0 111.97 -178.621 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 111' ' ' ASN . . . . . 0.616 ' ND2' ' CE1' ' A' ' 107' ' ' HIS . 57.6 t30 -108.75 -48.72 3.26 Favored 'General case' 0 N--CA 1.466 0.355 0 N-CA-C 112.642 0.608 . . . . 0.0 112.642 -178.736 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.541 HD13 HG22 ' B' ' 39' ' ' THR . 89.1 mt -92.98 139.29 30.68 Favored 'General case' 0 N--CA 1.465 0.325 0 N-CA-C 111.883 0.327 . . . . 0.0 111.883 -178.555 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 113' ' ' GLY . . . . . 0.566 ' O ' ' C ' ' A' ' 114' ' ' GLU . . . 57.23 125.34 0.01 OUTLIER Glycine 0 C--N 1.335 0.492 0 N-CA-C 111.352 -0.699 . . . . 0.0 111.352 178.653 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 114' ' ' GLU . . . . . 0.566 ' C ' ' O ' ' A' ' 113' ' ' GLY . 2.9 tt0 10.23 94.49 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.583 0 O-C-N 124.129 0.547 . . . . 0.0 110.836 179.729 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 62.6 mttp -53.77 136.83 39.33 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.695 -176.761 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.639 HD12 ' HB3' ' A' ' 120' ' ' GLU . 4.5 mm? -90.74 157.86 17.19 Favored 'General case' 0 CA--C 1.529 0.142 0 CA-C-N 115.657 -0.701 . . . . 0.0 109.125 178.75 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 117' ' ' THR . . . . . 0.431 ' O ' HG23 ' A' ' 121' ' ' VAL . 72.7 p -92.28 169.45 10.58 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 120.785 -0.366 . . . . 0.0 110.112 179.396 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 68.3 t0 -57.69 -42.82 84.41 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.93 -0.308 . . . . 0.0 110.834 -179.255 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 -62.39 -41.55 98.73 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.781 -0.368 . . . . 0.0 110.566 -179.767 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 120' ' ' GLU . . . . . 0.639 ' HB3' HD12 ' A' ' 116' ' ' LEU . 51.5 mt-10 -69.82 -40.25 76.02 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.1 178.78 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.471 HG21 ' CG2' ' A' ' 110' ' ' THR . 55.3 t -64.06 -45.61 96.13 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.254 0 CA-C-O 120.99 0.424 . . . . 0.0 110.66 178.752 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 122' ' ' ASP . . . . . 0.525 ' OD1' ' NH1' ' A' ' 126' ' ' ARG . 68.5 t0 -55.9 -43.18 77.03 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 120.354 -0.538 . . . . 0.0 110.288 -178.873 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 53.7 tp10 -62.06 -38.27 88.13 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.191 -0.67 . . . . 0.0 109.191 178.64 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 124' ' ' MET . . . . . 0.51 ' SD ' ' CE1' ' B' ' 50' ' ' PHE . 50.7 mmm -68.89 -39.06 79.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.931 179.492 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 1.2 mp -63.77 -37.42 79.65 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.222 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.019 -179.315 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 126' ' ' ARG . . . . . 0.525 ' NH1' ' OD1' ' A' ' 122' ' ' ASP . 82.1 mtt85 -66.0 -27.22 67.97 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.936 0.398 . . . . 0.0 110.576 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 -96.35 -6.14 38.33 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.2 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 0.621 ' HB1' HG21 ' A' ' 136' ' ' VAL . . . -84.99 -73.27 0.44 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.3 -179.073 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 129' ' ' ASP . . . . . 0.448 ' CB ' ' O ' ' A' ' 128' ' ' ALA . 1.5 m-20 161.89 -97.05 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.628 0 CA-C-O 120.824 0.345 . . . . 0.0 111.018 179.555 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 73.8 mt . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.16 -178.972 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.1 0 CA-C-O 119.88 -0.4 . . . . 0.0 113.542 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -119.29 149.98 40.89 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 117.466 0.633 . . . . 0.0 109.645 178.291 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 136' ' ' VAL . . . . . 0.621 HG21 ' HB1' ' A' ' 128' ' ' ALA . 45.3 t -131.89 135.05 59.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 121.138 0.494 . . . . 0.0 111.945 -179.261 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -95.24 110.18 22.2 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.602 -0.727 . . . . 0.0 109.491 178.498 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 45.9 p90 -59.88 -11.27 5.14 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 120.606 -0.437 . . . . 0.0 111.598 -178.921 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -59.68 -50.04 75.4 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 119.705 -0.798 . . . . 0.0 109.956 -179.41 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -59.6 -41.69 90.9 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 120.913 -0.315 . . . . 0.0 110.636 -179.334 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 141' ' ' PHE . . . . . 0.536 ' O ' ' SD ' ' A' ' 145' ' ' MET . 3.6 m-85 -62.1 -41.52 98.29 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.323 -0.551 . . . . 0.0 109.884 178.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 53.3 t -63.35 -40.64 89.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 C-N-CA 120.333 -0.547 . . . . 0.0 110.129 178.884 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 86.5 mm-40 -60.79 -40.91 94.39 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 109.146 -0.687 . . . . 0.0 109.146 179.213 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 144' ' ' MET . . . . . 0.465 ' O ' ' CE1' ' B' ' 53' ' ' PHE . 71.7 mtp -60.62 -45.72 92.95 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.479 179.408 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 145' ' ' MET . . . . . 0.536 ' SD ' ' O ' ' A' ' 141' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--N 1.331 -0.205 0 CA-C-N 115.954 -0.567 . . . . 0.0 111.33 -179.857 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 55.2 p30 . . . . . 0 CA--C 1.529 0.137 0 N-CA-C 111.61 0.226 . . . . 0.0 111.61 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -101.73 148.31 35.09 Favored Pre-proline 0 CA--C 1.532 0.286 0 C-N-CA 120.764 -0.375 . . . . 0.0 110.442 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -68.7 -27.84 31.52 Favored 'Trans proline' 0 N--CA 1.492 1.423 0 C-N-CA 122.422 2.081 . . . . 0.0 112.599 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -63.16 -40.9 98.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.842 -179.756 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 39' ' ' THR . . . . . 0.541 HG22 HD13 ' A' ' 112' ' ' LEU . 97.3 m -62.44 -49.43 75.46 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.16 -179.441 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -66.52 -42.97 86.47 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.27 0.557 . . . . 0.0 109.727 179.292 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 29.1 tpt180 -61.51 -44.47 97.02 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.223 -0.899 . . . . 0.0 110.514 179.709 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -60.83 -40.13 91.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.412 -179.831 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -61.36 -41.77 97.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.281 179.779 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 59.4 t -63.15 -43.89 99.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.317 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -60.62 -46.31 90.77 Favored 'General case' 0 N--CA 1.463 0.211 0 C-N-CA 120.705 -0.398 . . . . 0.0 111.175 -179.054 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 91.4 mt -64.49 -46.3 93.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-O 121.154 0.502 . . . . 0.0 110.101 179.267 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 47' ' ' GLN . . . . . 0.453 ' OE1' ' O ' ' A' ' 113' ' ' GLY . 81.7 mt-30 -64.52 -41.25 96.51 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.422 -0.808 . . . . 0.0 111.544 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 75.1 m -61.9 -43.8 98.11 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.784 -0.366 . . . . 0.0 110.333 -179.411 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 8.2 tp-100 -67.48 -38.23 84.06 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 179.349 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 50' ' ' PHE . . . . . 0.51 ' CE1' ' SD ' ' A' ' 124' ' ' MET . 40.6 t80 -59.05 -48.03 83.06 Favored 'General case' 0 C--N 1.333 -0.114 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.128 -179.724 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 44.1 ttm180 -59.56 -45.24 92.41 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 120.618 -0.433 . . . . 0.0 110.358 -179.871 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 64.8 tttm -62.02 -40.45 95.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.055 0.455 . . . . 0.0 109.923 179.356 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 53' ' ' PHE . . . . . 0.465 ' CE1' ' O ' ' A' ' 144' ' ' MET . 86.5 t80 -58.8 -44.04 90.66 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.611 -179.869 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 54' ' ' GLN . . . . . 0.474 ' NE2' ' CZ ' ' B' ' 50' ' ' PHE . 91.4 mt-30 -59.99 -40.28 88.62 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.82 -179.119 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 62.5 mttp . . . . . 0 C--N 1.33 -0.275 0 C-N-CA 120.799 -0.36 . . . . 0.0 110.674 179.802 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 66.1 m . . . . . 0 CA--C 1.52 -0.199 0 CA-C-O 120.769 0.319 . . . . 0.0 110.76 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 15.8 tm-20 -56.9 -38.84 73.38 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.249 -0.649 . . . . 0.0 109.249 179.744 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.413 ' OE2' ' OE2' ' A' ' 84' ' ' GLU . 1.2 pp20? -67.61 -35.26 78.61 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.728 179.283 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.413 ' OE2' ' OE2' ' A' ' 83' ' ' GLU . 79.8 mm-40 -63.92 -44.8 91.82 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-O 120.913 0.387 . . . . 0.0 110.795 -179.735 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 4.2 mm -68.13 -38.63 80.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 121.282 0.563 . . . . 0.0 109.741 178.826 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 80.1 ttt180 -60.35 -38.55 84.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.204 -0.907 . . . . 0.0 110.533 179.592 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -57.54 -38.58 74.97 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.788 -0.642 . . . . 0.0 109.967 -179.655 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -59.97 -34.45 73.31 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.526 179.428 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 74.4 m-85 -75.12 -39.86 60.25 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.359 -0.536 . . . . 0.0 110.344 178.239 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 1.2 mpt_? -44.5 -30.44 0.88 Allowed 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.484 -179.402 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.659 HG11 HG23 ' B' ' 39' ' ' THR . 52.5 t -60.98 -39.7 83.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.975 179.679 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 16.4 m-85 -87.53 -26.58 23.09 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 120.768 -0.373 . . . . 0.0 110.525 -179.698 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.446 ' OD1' ' O ' ' A' ' 99' ' ' TYR . 38.6 t70 -89.99 68.99 7.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.309 -0.405 . . . . 0.0 109.926 179.053 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 26.5 pttm -76.99 -20.11 56.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.014 0.435 . . . . 0.0 111.153 179.612 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 95' ' ' ASP . . . . . 0.526 ' OD2' ' ND2' ' A' ' 97' ' ' ASN . 51.4 t0 -73.72 -28.65 61.82 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.333 179.648 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 73.87 21.77 78.86 Favored Glycine 0 CA--C 1.528 0.878 0 N-CA-C 111.265 -0.734 . . . . 0.0 111.265 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 97' ' ' ASN . . . . . 0.526 ' ND2' ' OD2' ' A' ' 95' ' ' ASP . 98.6 m-20 -91.46 -4.25 55.77 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 120.833 -0.347 . . . . 0.0 111.313 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 98' ' ' GLY . . . . . 0.429 ' C ' ' CD1' ' A' ' 99' ' ' TYR . . . 93.36 11.59 58.22 Favored Glycine 0 CA--C 1.532 1.152 0 C-N-CA 120.805 -0.712 . . . . 0.0 111.479 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.446 ' O ' ' OD1' ' A' ' 93' ' ' ASP . 18.9 m-85 -136.9 157.59 46.39 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-O 121.159 0.504 . . . . 0.0 112.163 -179.722 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.442 HG21 HD13 ' A' ' 100' ' ' ILE . 0.3 OUTLIER -129.07 142.01 45.14 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 177.657 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 67.9 m -58.87 130.4 46.77 Favored 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 119.87 -0.732 . . . . 0.0 110.043 -179.372 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.607 ' HB2' HG23 ' A' ' 136' ' ' VAL . . . -63.26 -38.24 90.39 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.976 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -60.05 -40.26 88.82 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.656 0.613 . . . . 0.0 112.656 -178.152 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.511 ' O ' HG23 ' A' ' 108' ' ' VAL . 5.1 pt-20 -70.38 -28.6 65.22 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.59 -0.444 . . . . 0.0 110.674 -179.057 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 3.4 tt -60.53 -48.64 80.89 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 106' ' ' ARG . . . . . 0.685 ' CZ ' HG11 ' A' ' 121' ' ' VAL . 7.9 tpp180 -55.16 -51.59 66.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.251 -0.431 . . . . 0.0 109.922 179.84 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 79.3 t60 -61.11 -47.59 85.59 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.111 0.481 . . . . 0.0 111.237 179.637 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.511 HG23 ' O ' ' A' ' 104' ' ' GLU . 53.8 t -61.38 -40.84 87.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 115.607 -0.724 . . . . 0.0 112.119 -179.082 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.62 -29.15 64.34 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.23 -0.441 . . . . 0.0 112.075 -179.171 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 110' ' ' THR . . . . . 0.514 ' CG2' HG21 ' A' ' 121' ' ' VAL . 41.5 p -102.96 -11.43 18.2 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 112.37 0.507 . . . . 0.0 112.37 -177.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 24.0 t-20 -111.02 -49.18 3.04 Favored 'General case' 0 N--CA 1.467 0.376 0 N-CA-C 112.237 0.458 . . . . 0.0 112.237 -178.942 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 92.5 mt -92.83 163.47 13.7 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-O 121.214 0.53 . . . . 0.0 112.143 -178.693 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 63.61 -116.5 9.33 Favored Glycine 0 CA--C 1.523 0.542 0 CA-C-N 115.307 -0.86 . . . . 0.0 111.713 179.016 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 114' ' ' GLU . . . . . 0.609 ' O ' HD22 ' A' ' 116' ' ' LEU . 78.8 mm-40 -113.23 93.14 4.27 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.433 -0.58 . . . . 0.0 109.433 179.122 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 62.5 mttp -35.06 116.95 0.37 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.119 -0.491 . . . . 0.0 112.036 -178.022 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.609 HD22 ' O ' ' A' ' 114' ' ' GLU . 3.8 mm? -88.9 155.98 19.19 Favored 'General case' 0 N--CA 1.462 0.161 0 N-CA-C 108.687 -0.857 . . . . 0.0 108.687 178.36 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 59.4 p -88.96 165.64 14.44 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.829 -0.434 . . . . 0.0 109.829 178.863 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 118' ' ' ASP . . . . . 0.415 ' HA ' HH12 ' A' ' 106' ' ' ARG . 98.3 m-20 -59.8 -39.89 86.5 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 120.583 -0.447 . . . . 0.0 110.143 -179.665 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -61.89 -41.23 97.65 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.092 179.853 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 120' ' ' GLU . . . . . 0.594 ' HB3' HD12 ' A' ' 116' ' ' LEU . 48.8 mt-10 -70.42 -43.67 69.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.98 178.736 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.685 HG11 ' CZ ' ' A' ' 106' ' ' ARG . 79.2 t -65.48 -44.44 94.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.621 179.841 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -54.59 -39.17 67.55 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 120.049 -0.66 . . . . 0.0 109.234 -178.83 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -62.86 -38.21 89.92 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.801 -0.636 . . . . 0.0 109.342 178.07 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 97.0 mtp -69.9 -39.32 76.3 Favored 'General case' 0 C--O 1.231 0.131 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.663 179.622 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 125' ' ' ILE . . . . . 0.628 HD13 HG12 ' A' ' 121' ' ' VAL . 1.2 mp -59.73 -37.79 72.84 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.137 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.571 -179.447 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -67.73 -26.66 66.25 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.527 179.648 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -96.11 -10.82 27.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.868 179.702 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 0.63 ' HB1' HG21 ' A' ' 136' ' ' VAL . . . -79.69 -70.98 0.47 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.406 -179.122 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 129' ' ' ASP . . . . . 0.446 ' CB ' ' O ' ' A' ' 128' ' ' ALA . 1.2 m-20 163.11 -93.67 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.559 0 CA-C-O 121.002 0.43 . . . . 0.0 111.377 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 130' ' ' ILE . . . . . 0.697 ' O ' HG22 ' A' ' 130' ' ' ILE . 76.7 mt . . . . . 0 C--N 1.325 -0.464 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.404 -178.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.664 0 N-CA-C 111.227 -0.749 . . . . 0.0 111.227 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -123.21 148.93 45.3 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 109.788 -0.449 . . . . 0.0 109.788 179.113 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 136' ' ' VAL . . . . . 0.63 HG21 ' HB1' ' A' ' 128' ' ' ALA . 38.5 t -127.39 133.37 68.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.896 -179.096 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 137' ' ' ASN . . . . . 0.445 ' OD1' ' O ' ' A' ' 137' ' ' ASN . 43.3 p-10 -92.2 112.56 24.54 Favored 'General case' 0 N--CA 1.451 -0.407 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 178.489 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 38.9 p90 -62.63 -8.88 7.31 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 112.08 0.4 . . . . 0.0 112.08 -178.478 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 15.7 tm-20 -60.03 -50.97 71.64 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 119.882 -0.727 . . . . 0.0 110.784 -179.315 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -61.46 -40.33 94.12 Favored 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 120.732 -0.387 . . . . 0.0 110.857 -179.117 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -60.75 -46.8 89.03 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.519 -0.473 . . . . 0.0 109.87 178.956 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 53.6 t -63.12 -44.58 99.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 C-N-CA 120.703 -0.399 . . . . 0.0 110.468 179.384 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 10.7 tp-100 -61.53 -42.15 98.39 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 108.8 -0.815 . . . . 0.0 108.8 178.949 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 2.1 ttp -63.41 -48.73 76.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.394 -0.821 . . . . 0.0 109.537 178.041 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 10.5 tpp . . . . . 0 C--N 1.324 -0.518 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.844 -179.558 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 . . . . . 0 C--O 1.231 0.115 0 N-CA-C 111.622 0.23 . . . . 0.0 111.622 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.32 122.98 74.06 Favored Pre-proline 0 CA--C 1.541 0.601 0 C-N-CA 120.623 -0.431 . . . . 0.0 110.49 -179.218 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_exo -51.44 -34.09 49.66 Favored 'Trans proline' 0 N--CA 1.5 1.878 0 C-N-CA 121.967 1.778 . . . . 0.0 112.881 179.328 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -54.8 -39.44 68.48 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.851 -0.34 . . . . 0.0 111.057 -178.718 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 39' ' ' THR . . . . . 0.659 HG23 HG11 ' A' ' 91' ' ' VAL . 92.5 m -63.91 -44.09 94.0 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.529 -0.468 . . . . 0.0 110.136 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -62.97 -41.79 99.64 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.571 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 6.7 mmp_? -64.22 -39.51 94.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.241 179.82 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -61.31 -41.12 96.47 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.332 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 43' ' ' ALA . . . . . 0.674 ' HB1' HE21 ' B' ' 47' ' ' GLN . . . -61.98 -39.6 92.71 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.536 179.746 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 53.2 t -61.22 -44.74 98.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.253 -179.659 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -60.64 -47.21 87.27 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.583 -0.447 . . . . 0.0 110.924 -179.338 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 92.9 mt -66.4 -47.2 84.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 C-N-CA 120.662 -0.415 . . . . 0.0 111.064 179.664 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 47' ' ' GLN . . . . . 0.674 HE21 ' HB1' ' B' ' 43' ' ' ALA . 66.7 mt-30 -65.74 -41.46 92.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.234 -179.6 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 48.2 t -62.6 -46.16 89.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.2 -179.604 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 97.8 mm-40 -65.07 -38.14 89.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.948 -179.774 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 50' ' ' PHE . . . . . 0.471 ' CE2' ' OE1' ' B' ' 54' ' ' GLN . 63.5 t80 -58.55 -47.94 82.55 Favored 'General case' 0 C--N 1.332 -0.191 0 C-N-CA 120.93 -0.308 . . . . 0.0 110.83 -179.42 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 55.9 ttp180 -60.07 -42.99 95.73 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 120.736 -0.385 . . . . 0.0 110.196 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 64.9 tttm -61.91 -39.96 93.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.055 179.267 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 53' ' ' PHE . . . . . . . . . . . . . 40.2 t80 -58.71 -42.7 89.27 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.35 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 54' ' ' GLN . . . . . 0.471 ' OE1' ' CE2' ' B' ' 50' ' ' PHE . 47.2 mt-30 -61.08 -39.34 89.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.132 -179.337 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 68.4 mttm . . . . . 0 C--N 1.33 -0.247 0 C-N-CA 120.638 -0.425 . . . . 0.0 111.03 -179.265 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 85.8 p . . . . . 0 C--O 1.23 0.063 0 CA-C-O 120.426 0.155 . . . . 0.0 111.208 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 24.5 pt-20 -55.95 -35.68 66.95 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 120.412 -0.515 . . . . 0.0 110.227 -179.675 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -65.94 -37.03 84.97 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.373 179.087 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -62.39 -44.69 95.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.09 179.658 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.647 HD12 ' CD ' ' B' ' 49' ' ' GLN . 39.7 mm -66.78 -43.28 89.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.667 179.368 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -60.45 -35.92 76.98 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.861 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 16.1 tm-20 -55.52 -40.07 71.32 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.425 -0.584 . . . . 0.0 109.425 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.22 -35.12 74.72 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.971 179.513 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 89.5 m-85 -79.97 -40.36 28.16 Favored 'General case' 0 C--N 1.333 -0.143 0 C-N-CA 120.557 -0.457 . . . . 0.0 110.227 178.574 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -49.95 -25.11 2.98 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.346 -179.219 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 54.8 t -62.02 -39.57 84.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.276 178.663 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 16.0 m-85 -87.41 -25.74 23.65 Favored 'General case' 0 CA--C 1.53 0.182 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.713 -179.759 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 68.1 t0 -93.87 108.18 19.99 Favored 'General case' 0 CA--C 1.529 0.15 0 N-CA-C 109.169 -0.678 . . . . 0.0 109.169 178.777 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 52.5 mttp -97.55 -51.43 4.14 Favored 'General case' 0 CA--C 1.517 -0.304 0 CA-C-O 121.274 0.559 . . . . 0.0 110.403 -179.329 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 95' ' ' ASP . . . . . 0.437 ' O ' ' OD1' ' A' ' 95' ' ' ASP . 52.1 t0 -65.35 -17.64 64.68 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.301 -0.863 . . . . 0.0 111.217 -178.089 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 66.25 40.67 94.86 Favored Glycine 0 CA--C 1.521 0.416 0 C-N-CA 120.282 -0.961 . . . . 0.0 111.037 179.268 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 47.9 p-10 -88.05 -5.44 58.49 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 178.773 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 92.62 6.12 64.29 Favored Glycine 0 CA--C 1.529 0.924 0 CA-C-N 115.297 -0.865 . . . . 0.0 111.526 179.749 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.469 ' CD1' ' N ' ' A' ' 99' ' ' TYR . 12.0 m-85 -136.51 159.03 43.03 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-O 120.96 0.409 . . . . 0.0 110.934 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -130.36 148.28 33.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 N-CA-C 107.594 -1.261 . . . . 0.0 107.594 177.793 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 39.2 t -58.77 132.4 53.78 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 119.625 -0.83 . . . . 0.0 109.834 -179.525 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.441 ' HB2' HG23 ' A' ' 136' ' ' VAL . . . -65.02 -36.68 85.16 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.487 -179.679 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -59.29 -40.06 84.93 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.271 0.471 . . . . 0.0 112.271 -177.798 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.684 ' O ' HG23 ' A' ' 108' ' ' VAL . 6.1 pt-20 -69.45 -28.19 65.89 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.202 -0.599 . . . . 0.0 110.424 -179.313 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 28.3 tp -61.3 -48.06 83.1 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.045 -0.724 . . . . 0.0 109.045 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 106' ' ' ARG . . . . . 0.602 ' CD ' HG11 ' A' ' 121' ' ' VAL . 2.1 tpt85 -56.36 -50.66 70.91 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.712 -0.677 . . . . 0.0 109.637 -179.289 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 107' ' ' HIS . . . . . 0.511 ' O ' ' N ' ' A' ' 111' ' ' ASN . 31.1 t-80 -62.72 -46.23 89.04 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.137 0.494 . . . . 0.0 111.2 179.04 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.684 HG23 ' O ' ' A' ' 104' ' ' GLU . 67.2 t -61.14 -39.61 83.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.378 -0.828 . . . . 0.0 112.304 -178.551 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.61 -17.73 53.19 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.911 -0.316 . . . . 0.0 111.323 -179.273 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 110' ' ' THR . . . . . 0.461 HG23 ' O ' ' A' ' 106' ' ' ARG . 54.5 p -108.67 -17.87 13.85 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.789 -0.365 . . . . 0.0 111.633 -178.944 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 111' ' ' ASN . . . . . 0.511 ' N ' ' O ' ' A' ' 107' ' ' HIS . 23.0 t-20 -112.61 -32.71 6.36 Favored 'General case' 0 N--CA 1.467 0.422 0 N-CA-C 112.509 0.559 . . . . 0.0 112.509 -179.065 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.462 ' O ' ' O ' ' A' ' 113' ' ' GLY . 88.0 mt -108.9 138.64 44.93 Favored 'General case' 0 N--CA 1.466 0.363 0 N-CA-C 112.025 0.38 . . . . 0.0 112.025 -178.448 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 113' ' ' GLY . . . . . 0.553 ' O ' ' C ' ' A' ' 114' ' ' GLU . . . 55.4 124.32 0.01 OUTLIER Glycine 0 CA--C 1.523 0.543 0 CA-C-N 115.596 -0.729 . . . . 0.0 111.662 178.902 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 114' ' ' GLU . . . . . 0.553 ' C ' ' O ' ' A' ' 113' ' ' GLY . 45.8 mt-10 14.04 87.32 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.563 0 O-C-N 123.794 0.349 . . . . 0.0 111.319 179.457 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 62.3 mttp -47.11 134.43 10.77 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.265 -177.709 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.616 HD12 ' HB3' ' A' ' 120' ' ' GLU . 4.2 mm? -90.46 156.07 18.46 Favored 'General case' 0 C--N 1.332 -0.171 0 N-CA-C 108.879 -0.785 . . . . 0.0 108.879 178.743 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 68.6 p -86.02 164.16 17.53 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 179.081 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 118' ' ' ASP . . . . . 0.42 ' OD1' ' OD2' ' A' ' 122' ' ' ASP . 68.0 t0 -57.5 -42.06 82.01 Favored 'General case' 0 C--N 1.325 -0.487 0 C-N-CA 120.597 -0.441 . . . . 0.0 109.829 -179.748 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 60.3 mp0 -62.26 -40.85 97.57 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.429 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 120' ' ' GLU . . . . . 0.616 ' HB3' HD12 ' A' ' 116' ' ' LEU . 51.8 mt-10 -70.26 -44.8 67.72 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.924 -0.31 . . . . 0.0 110.978 179.459 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.602 HG11 ' CD ' ' A' ' 106' ' ' ARG . 73.1 t -66.16 -42.88 92.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.674 -179.731 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 122' ' ' ASP . . . . . 0.42 ' OD2' ' OD1' ' A' ' 118' ' ' ASP . 98.4 m-20 -55.77 -39.39 71.17 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 119.915 -0.714 . . . . 0.0 109.668 -178.329 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 53.4 tp10 -62.79 -37.73 87.84 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.996 -0.547 . . . . 0.0 109.625 178.58 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 97.0 mtp -68.53 -38.98 81.33 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.195 179.662 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 125' ' ' ILE . . . . . 0.573 HD13 HG12 ' A' ' 121' ' ' VAL . 1.2 mp -58.77 -41.0 81.31 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.154 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.896 -179.444 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 83.4 mtp180 -66.43 -25.55 66.8 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.895 0.378 . . . . 0.0 110.554 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -96.22 -11.95 25.32 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.641 179.518 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 0.491 ' HB1' ' CG2' ' A' ' 136' ' ' VAL . . . -78.85 -74.28 0.29 Allowed 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.52 -179.162 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 129' ' ' ASP . . . . . 0.526 ' CG ' ' N ' ' A' ' 130' ' ' ILE . 18.3 t70 166.49 -104.17 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.873 0 O-C-N 123.652 0.595 . . . . 0.0 110.856 179.407 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 130' ' ' ILE . . . . . 0.526 ' N ' ' CG ' ' A' ' 129' ' ' ASP . 1.2 mp . . . . . 0 C--N 1.332 -0.172 0 CA-C-N 115.454 -0.794 . . . . 0.0 111.665 -179.606 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.062 0 CA-C-O 119.902 -0.388 . . . . 0.0 113.653 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 135' ' ' GLN . . . . . 0.421 ' O ' ' OD2' ' A' ' 129' ' ' ASP . 6.9 pt20 -121.36 149.54 42.81 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 117.431 0.615 . . . . 0.0 109.634 178.223 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 136' ' ' VAL . . . . . 0.491 ' CG2' ' HB1' ' A' ' 128' ' ' ALA . 35.4 t -126.23 135.13 64.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 N-CA-C 112.262 0.467 . . . . 0.0 112.262 -178.5 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -92.09 107.75 19.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.773 -0.649 . . . . 0.0 109.401 178.427 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 43.1 p90 -63.69 -14.71 54.66 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.801 -0.36 . . . . 0.0 111.641 -178.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 53.3 tp10 -59.4 -50.33 74.38 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.13 -0.628 . . . . 0.0 110.056 -179.355 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -60.76 -42.02 96.62 Favored 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 120.87 -0.332 . . . . 0.0 110.611 -179.559 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -59.31 -49.17 78.85 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 178.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 71.4 t -62.27 -43.76 98.36 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 C-N-CA 120.571 -0.452 . . . . 0.0 110.187 179.661 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 10.8 tp-100 -61.58 -42.52 98.98 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 178.716 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 2.2 ttp -62.69 -47.08 85.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.512 -0.767 . . . . 0.0 109.823 178.421 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 145' ' ' MET . . . . . 0.493 ' SD ' ' OE1' ' B' ' 49' ' ' GLN . 65.3 mtt . . . . . 0 C--N 1.326 -0.418 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.116 179.822 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 35' ' ' ASP . . . . . 0.532 ' OD1' ' N ' ' B' ' 36' ' ' ALA . 52.3 p-10 . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.503 0.192 . . . . 0.0 110.844 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 36' ' ' ALA . . . . . 0.532 ' N ' ' OD1' ' B' ' 35' ' ' ASP . . . -67.01 141.84 96.9 Favored Pre-proline 0 CA--C 1.534 0.337 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 179.479 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 47.2 Cg_endo -67.68 -26.62 39.13 Favored 'Trans proline' 0 N--CA 1.493 1.477 0 C-N-CA 122.058 1.838 . . . . 0.0 112.673 -179.496 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -63.83 -41.77 97.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.325 -179.484 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 93.0 m -63.39 -49.36 74.08 Favored 'General case' 0 C--N 1.332 -0.155 0 C-N-CA 120.618 -0.433 . . . . 0.0 110.974 -179.291 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -65.11 -43.41 92.08 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 121.315 0.579 . . . . 0.0 109.537 179.311 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 17.7 tpp180 -62.08 -42.3 99.07 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.234 -0.894 . . . . 0.0 110.273 179.156 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -60.52 -40.2 90.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.484 -179.837 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -61.39 -40.78 95.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.345 179.817 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 60.2 t -62.08 -45.93 97.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.539 -179.444 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -61.3 -44.01 97.92 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 120.799 -0.361 . . . . 0.0 111.009 -179.309 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 92.5 mt -63.74 -45.86 96.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.299 179.624 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 47' ' ' GLN . . . . . 0.537 ' NE2' ' O ' ' A' ' 113' ' ' GLY . 93.6 mt-30 -63.69 -38.59 91.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.372 179.252 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 74.7 m -60.15 -41.75 93.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.05 -179.807 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 49' ' ' GLN . . . . . 0.647 ' CD ' HD12 ' A' ' 85' ' ' ILE . 82.2 mt-30 -63.54 -40.6 97.43 Favored 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 120.608 -0.437 . . . . 0.0 110.496 179.319 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 56.2 t80 -60.19 -48.15 82.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.01 -179.055 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 51' ' ' ARG . . . . . 0.512 ' NH1' ' OE1' ' A' ' 114' ' ' GLU . 91.5 mtm180 -62.83 -41.54 99.37 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.626 -0.43 . . . . 0.0 110.646 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 56.3 mtmt -66.95 -39.33 87.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.161 179.672 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 53' ' ' PHE . . . . . . . . . . . . . 69.9 t80 -59.98 -49.63 76.92 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.895 -179.18 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 20.2 pt20 -72.0 -29.63 64.41 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.856 -0.338 . . . . 0.0 110.686 179.862 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 38.9 ttpt . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.266 179.681 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 1.7 ptt? . . . . . 0 N--CA 1.49 1.531 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 20.5 ttmm -113.13 124.6 52.94 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.889 0.376 . . . . 0.0 110.879 -179.683 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -106.0 171.95 7.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.977 179.391 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 73.3 p -65.32 -165.34 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.77 0.319 . . . . 0.0 110.764 -179.627 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -111.17 154.39 24.42 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.831 -179.844 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 67.5 m -80.4 -5.74 56.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.339 179.517 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -57.41 -37.68 73.13 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 -179.541 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 22.5 pt-20 -62.5 -32.55 73.48 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.35 -0.841 . . . . 0.0 110.468 179.37 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -63.76 -42.69 97.77 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.489 -179.719 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 4.4 mm -67.69 -39.33 81.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.262 179.248 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -61.62 -37.01 82.4 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.075 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 53.9 tp10 -55.32 -40.8 71.6 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 108.763 -0.829 . . . . 0.0 108.763 -179.694 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -59.53 -33.42 71.36 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.548 179.323 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 74.7 m-85 -81.94 -41.27 21.07 Favored 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 120.658 -0.417 . . . . 0.0 110.552 178.8 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 95.0 mtt-85 -53.17 -23.64 8.87 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.672 -178.621 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 54.6 t -60.43 -38.15 76.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.105 178.755 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 18.9 m-85 -87.36 -19.69 27.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.091 -179.386 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 58.0 t0 -88.82 73.26 8.46 Favored 'General case' 0 N--CA 1.464 0.262 0 N-CA-C 109.915 -0.402 . . . . 0.0 109.915 179.22 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 65.1 pttt -70.69 -22.53 62.46 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.943 0.402 . . . . 0.0 111.396 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' ASP . . . . . 0.464 ' CB ' ' ND2' ' A' ' 97' ' ' ASN . 97.5 m-20 -76.72 -25.8 53.96 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.801 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 67.57 30.32 74.8 Favored Glycine 0 CA--C 1.526 0.776 0 N-CA-C 111.044 -0.822 . . . . 0.0 111.044 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' ASN . . . . . 0.464 ' ND2' ' CB ' ' A' ' 95' ' ' ASP . 3.8 p30 -98.61 -1.69 40.3 Favored 'General case' 0 C--N 1.33 -0.239 0 C-N-CA 120.874 -0.33 . . . . 0.0 110.925 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 94.62 8.1 59.79 Favored Glycine 0 CA--C 1.527 0.795 0 N-CA-C 111.312 -0.715 . . . . 0.0 111.312 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.456 ' CD1' ' N ' ' A' ' 99' ' ' TYR . 18.3 m-85 -135.52 156.9 48.15 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.983 0.42 . . . . 0.0 111.18 -179.738 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.406 HD13 HG21 ' A' ' 100' ' ' ILE . 0.4 OUTLIER -130.42 145.5 35.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 178.187 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 41.3 t -58.84 134.75 57.17 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 119.69 -0.804 . . . . 0.0 109.763 -179.789 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.715 ' HB2' HG23 ' A' ' 136' ' ' VAL . . . -66.22 -37.5 85.69 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.849 0.357 . . . . 0.0 111.183 -179.854 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -61.01 -42.14 97.88 Favored 'General case' 0 CA--C 1.535 0.38 0 N-CA-C 112.839 0.681 . . . . 0.0 112.839 -178.193 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.645 ' O ' HG23 ' A' ' 108' ' ' VAL . 1.1 pp20? -67.21 -26.36 66.57 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.436 -0.506 . . . . 0.0 110.791 -178.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 48.1 tp -61.96 -45.96 91.4 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.141 -0.688 . . . . 0.0 109.141 179.755 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 8.7 tmm_? -57.73 -50.74 72.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.221 -179.131 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' HIS . . . . . 0.603 ' CE1' ' ND2' ' A' ' 111' ' ' ASN . 82.8 t60 -61.43 -43.2 99.28 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.041 0.448 . . . . 0.0 110.518 179.787 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.645 HG23 ' O ' ' A' ' 104' ' ' GLU . 67.2 t -62.84 -38.43 81.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 115.543 -0.753 . . . . 0.0 111.508 -179.792 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.63 -18.99 46.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.596 -179.077 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.508 ' CG2' HG21 ' A' ' 121' ' ' VAL . 81.0 p -108.57 -18.94 13.6 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.685 -0.406 . . . . 0.0 111.186 -179.794 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 111' ' ' ASN . . . . . 0.603 ' ND2' ' CE1' ' A' ' 107' ' ' HIS . 55.9 t30 -107.5 -38.71 5.84 Favored 'General case' 0 CA--C 1.533 0.294 0 N-CA-C 112.68 0.622 . . . . 0.0 112.68 -178.389 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.724 HD11 ' SD ' ' B' ' 34' ' ' MET . 87.8 mt -103.59 139.85 38.33 Favored 'General case' 0 N--CA 1.468 0.435 0 N-CA-C 112.083 0.401 . . . . 0.0 112.083 -178.635 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 113' ' ' GLY . . . . . 0.573 ' O ' ' C ' ' A' ' 114' ' ' GLU . . . 56.12 128.79 0.01 OUTLIER Glycine 0 CA--C 1.524 0.637 0 CA-C-N 115.419 -0.81 . . . . 0.0 111.558 179.019 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 114' ' ' GLU . . . . . 0.573 ' C ' ' O ' ' A' ' 113' ' ' GLY . 98.2 mt-10 7.92 93.99 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.737 0 O-C-N 124.111 0.536 . . . . 0.0 110.884 179.542 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -50.57 136.61 20.93 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.145 -0.48 . . . . 0.0 112.12 -176.867 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.543 HD12 ' HB3' ' A' ' 120' ' ' GLU . 4.5 mm? -92.61 155.78 17.53 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 115.659 -0.7 . . . . 0.0 109.456 178.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 65.6 p -85.44 167.37 15.56 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.848 -0.427 . . . . 0.0 109.848 179.164 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' ASP . . . . . 0.536 ' OD1' ' N ' ' A' ' 119' ' ' GLU . 40.4 p-10 -58.26 -40.41 81.73 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.582 -0.447 . . . . 0.0 110.546 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 119' ' ' GLU . . . . . 0.536 ' N ' ' OD1' ' A' ' 118' ' ' ASP . 98.5 mt-10 -61.64 -40.41 94.8 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.293 -179.807 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 120' ' ' GLU . . . . . 0.543 ' HB3' HD12 ' A' ' 116' ' ' LEU . 26.7 mm-40 -70.6 -40.83 72.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.256 178.553 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.508 HG21 ' CG2' ' A' ' 110' ' ' THR . 63.7 t -65.77 -44.41 93.1 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.21 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.908 179.58 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -59.3 -43.9 92.59 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 120.888 -0.325 . . . . 0.0 110.792 -179.226 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 53.9 tp10 -61.55 -39.11 89.93 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 179.443 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 124' ' ' MET . . . . . 0.597 ' SD ' ' CE1' ' B' ' 50' ' ' PHE . 35.0 mmm -65.74 -40.83 92.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.545 179.287 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 1.2 mp -63.61 -40.71 90.07 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.302 -179.361 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -63.31 -27.73 69.53 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.085 0.469 . . . . 0.0 109.955 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -97.12 -21.66 17.21 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.968 179.174 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.526 ' O ' ' CB ' ' A' ' 129' ' ' ASP . . . -63.33 -44.61 94.42 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.583 -0.281 . . . . 0.0 111.749 -179.395 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 129' ' ' ASP . . . . . 0.526 ' CB ' ' O ' ' A' ' 128' ' ' ALA . 11.3 t70 142.6 -97.13 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.968 0 O-C-N 124.165 0.915 . . . . 0.0 110.809 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 130' ' ' ILE . . . . . 0.722 ' O ' HG22 ' A' ' 130' ' ' ILE . 65.9 mt 40.46 44.33 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 114.941 -1.027 . . . . 0.0 111.62 -178.889 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -60.57 -40.98 93.65 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 108.086 -1.079 . . . . 0.0 108.086 178.627 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 170.66 20.47 0.02 OUTLIER Glycine 0 CA--C 1.523 0.573 0 CA-C-N 114.682 -1.144 . . . . 0.0 110.242 179.603 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -108.29 -26.61 10.45 Favored 'General case' 0 CA--C 1.528 0.131 0 C-N-CA 121.087 -0.245 . . . . 0.0 111.559 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 85.46 9.64 78.67 Favored Glycine 0 CA--C 1.529 0.963 0 C-N-CA 120.864 -0.684 . . . . 0.0 111.939 179.645 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -124.56 155.64 38.7 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-O 120.946 0.403 . . . . 0.0 110.633 179.466 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 136' ' ' VAL . . . . . 0.715 HG23 ' HB2' ' A' ' 102' ' ' ALA . 25.1 t -126.78 135.61 63.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.744 -179.341 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 7.3 p-10 -95.42 109.03 21.26 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.831 -0.622 . . . . 0.0 109.351 178.733 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 35.6 p90 -58.53 -11.72 3.26 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.507 -0.477 . . . . 0.0 111.453 -178.858 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -59.07 -50.0 75.74 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 119.992 -0.683 . . . . 0.0 109.766 -179.748 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 52.5 tp10 -59.45 -41.94 90.79 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 116.689 -0.232 . . . . 0.0 110.929 -179.201 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -60.33 -41.14 92.95 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.271 -0.572 . . . . 0.0 109.731 179.208 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 51.8 t -62.92 -42.67 97.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.495 178.767 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 143' ' ' GLN . . . . . 0.443 ' O ' ' N ' ' A' ' 147' ' ' ALA . 24.2 tt0 -59.89 -44.13 94.4 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 120.436 -0.506 . . . . 0.0 109.878 -179.618 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 73.6 mtm -60.11 -43.57 95.51 Favored 'General case' 0 C--N 1.332 -0.164 0 N-CA-C 108.359 -0.978 . . . . 0.0 108.359 178.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 1.1 mpp? -68.04 -18.76 64.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.472 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 67.7 p -121.57 19.14 11.22 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.666 -0.243 . . . . 0.0 111.146 -179.334 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 147' ' ' ALA . . . . . 0.443 ' N ' ' O ' ' A' ' 143' ' ' GLN . . . -125.34 49.49 1.89 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.537 -0.302 . . . . 0.0 110.84 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 8.1 tptp . . . . . 0 C--O 1.22 -0.455 0 CA-C-O 117.961 -1.019 . . . . 0.0 110.576 179.9 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 30' ' ' PHE . . . . . 0.585 ' N ' ' CD1' ' B' ' 30' ' ' PHE . 0.1 OUTLIER . . . . . 0 N--CA 1.49 1.555 0 N-CA-C 109.193 -0.669 . . . . 0.0 109.193 . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 31.0 t70 54.78 48.69 19.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.904 179.689 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 1.3 pt -127.61 164.51 28.61 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.174 0 CA-C-N 116.282 -0.417 . . . . 0.0 109.934 179.783 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -80.33 84.13 6.04 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 120.549 -0.46 . . . . 0.0 110.264 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 34' ' ' MET . . . . . 0.724 ' SD ' HD11 ' A' ' 112' ' ' LEU . 21.7 mmt -61.76 -39.67 92.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.154 179.715 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -62.1 -37.61 85.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.493 -0.776 . . . . 0.0 111.392 -179.583 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -59.3 119.59 40.49 Favored Pre-proline 0 CA--C 1.54 0.566 0 C-N-CA 120.788 -0.365 . . . . 0.0 110.743 -178.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_exo -52.99 -30.28 48.01 Favored 'Trans proline' 0 N--CA 1.499 1.814 0 C-N-CA 121.925 1.75 . . . . 0.0 112.517 178.826 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 53.1 tt0 -59.43 -43.12 93.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.768 -179.224 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 96.8 m -62.02 -45.71 92.38 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.569 -0.452 . . . . 0.0 110.298 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -63.56 -41.61 98.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.459 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 23.9 mmt85 -64.99 -39.49 93.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.469 179.794 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -61.35 -40.51 94.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.488 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -61.61 -41.0 96.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.294 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 60.5 t -63.31 -44.19 98.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.417 -179.72 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -60.39 -45.05 94.96 Favored 'General case' 0 C--N 1.331 -0.199 0 C-N-CA 120.865 -0.334 . . . . 0.0 111.211 -178.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 97.7 mt -64.07 -46.67 93.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-O 121.081 0.467 . . . . 0.0 110.133 179.575 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 47' ' ' GLN . . . . . 0.447 ' NE2' ' O ' ' A' ' 113' ' ' GLY . 95.9 mt-30 -63.99 -42.01 97.33 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.663 -0.699 . . . . 0.0 111.084 -179.591 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 48.1 t -61.6 -45.92 92.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.122 0.487 . . . . 0.0 109.697 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 72.1 mm-40 -65.39 -39.71 92.57 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.418 179.284 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 50' ' ' PHE . . . . . 0.597 ' CE1' ' SD ' ' A' ' 124' ' ' MET . 46.7 t80 -60.09 -47.77 84.51 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.718 179.757 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 13.8 tpp85 -59.89 -43.7 94.64 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.103 -179.765 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 1.2 mptp? -66.0 -36.41 83.21 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.869 0.366 . . . . 0.0 110.462 179.513 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 53' ' ' PHE . . . . . . . . . . . . . 93.8 t80 -59.32 -46.59 88.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.382 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 30.2 mm100 -61.62 -40.5 95.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.601 -179.584 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -62.74 -39.99 95.81 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.908 -0.317 . . . . 0.0 110.869 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 27.3 mtpp -62.66 -39.82 95.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.59 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -61.08 -44.39 97.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.233 179.824 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -80.85 -8.33 59.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.699 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . -65.55 149.86 51.67 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 111.083 -0.807 . . . . 0.0 111.083 -179.657 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 66.2 m -127.84 150.81 49.67 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.76 0.314 . . . . 0.0 110.54 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 25.5 pt20 -62.92 -21.56 66.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.65 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 13.7 p . . . . . 0 C--O 1.22 -0.481 0 CA-C-O 117.973 -1.013 . . . . 0.0 110.566 179.992 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 26.8 ttt . . . . . 0 N--CA 1.489 1.512 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 60.3 mtpt -89.46 -4.31 58.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.635 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -60.71 -62.21 2.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.474 . . . . 0.0 109.862 179.767 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.423 ' O ' ' CB ' ' A' ' 80' ' ' ASP . 27.1 p 44.51 -148.53 0.07 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.37 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.423 ' CB ' ' O ' ' A' ' 79' ' ' THR . 6.2 t0 77.09 126.93 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.452 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 69.9 m -80.93 -5.46 57.47 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.828 -0.623 . . . . 0.0 110.942 -179.786 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -59.4 -37.89 79.18 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.989 -0.745 . . . . 0.0 108.989 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 2.5 pp20? -62.97 -30.44 71.59 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.189 -0.914 . . . . 0.0 110.359 179.38 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 53.4 tp10 -70.68 -41.58 71.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.016 -179.739 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 38.9 mm -68.42 -46.55 80.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 N-CA-C 112.374 0.509 . . . . 0.0 112.374 -179.177 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 20.5 ptp180 -62.99 -27.47 69.43 Favored 'General case' 0 CA--C 1.521 -0.159 0 C-N-CA 120.482 -0.487 . . . . 0.0 110.585 -179.358 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -59.4 -40.73 87.54 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 179.51 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.18 -32.71 72.45 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.934 179.539 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 84.4 m-85 -81.38 -41.58 21.75 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 120.472 -0.491 . . . . 0.0 110.447 178.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -46.31 -28.46 1.31 Allowed 'General case' 0 N--CA 1.465 0.292 0 CA-C-O 120.853 0.359 . . . . 0.0 110.404 -179.72 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 55.2 t -61.21 -39.03 81.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.952 179.609 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 9.0 m-85 -89.94 -24.71 21.22 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.994 -179.232 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.447 ' OD1' ' O ' ' A' ' 99' ' ' TYR . 38.5 t70 -88.22 67.37 8.75 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.973 0.416 . . . . 0.0 110.121 178.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 65.3 pttt -73.51 -21.66 60.34 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.475 179.81 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' ASP . . . . . 0.459 ' CB ' ' ND2' ' A' ' 97' ' ' ASN . 97.9 m-20 -73.56 -25.85 60.57 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.518 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 69.18 24.8 75.85 Favored Glycine 0 CA--C 1.526 0.775 0 N-CA-C 111.139 -0.784 . . . . 0.0 111.139 179.804 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' ASN . . . . . 0.459 ' ND2' ' CB ' ' A' ' 95' ' ' ASP . 3.1 p30 -93.21 -6.81 46.88 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 121.018 -0.273 . . . . 0.0 110.833 -179.852 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' GLY . . . . . 0.421 ' C ' ' CD1' ' A' ' 99' ' ' TYR . . . 95.25 10.4 57.2 Favored Glycine 0 CA--C 1.53 0.986 0 N-CA-C 111.162 -0.775 . . . . 0.0 111.162 -179.715 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.447 ' O ' ' OD1' ' A' ' 93' ' ' ASP . 15.2 m-85 -135.13 155.7 50.27 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.361 0.6 . . . . 0.0 112.239 -179.251 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.409 HD13 HG21 ' A' ' 100' ' ' ILE . 0.2 OUTLIER -129.75 143.47 41.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 N-CA-C 107.457 -1.312 . . . . 0.0 107.457 177.427 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 73.4 m -60.06 132.44 53.95 Favored 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 119.627 -0.829 . . . . 0.0 109.897 -179.326 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.697 ' HB2' HG23 ' A' ' 136' ' ' VAL . . . -62.32 -39.39 92.91 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 121.061 0.457 . . . . 0.0 110.332 179.812 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -58.31 -42.45 86.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.633 -179.441 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 -61.2 -41.32 96.63 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.93 178.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 2.6 tt -59.42 -48.71 80.62 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.696 -0.401 . . . . 0.0 110.988 -178.904 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 2.9 tmt_? -57.74 -50.06 74.49 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.289 -0.564 . . . . 0.0 110.501 -179.227 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' HIS . . . . . 0.516 ' O ' ' N ' ' A' ' 111' ' ' ASN . 43.6 t-80 -60.96 -47.56 85.88 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.017 0.437 . . . . 0.0 110.827 -179.76 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 50.1 t -62.03 -37.62 78.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 115.597 -0.729 . . . . 0.0 111.202 179.809 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' MET . . . . . 0.413 ' HA ' HE21 ' B' ' 47' ' ' GLN . 0.0 OUTLIER -72.5 -29.97 64.1 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.616 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.604 ' CG2' HG21 ' A' ' 121' ' ' VAL . 69.4 p -104.3 -16.52 15.14 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.559 -0.456 . . . . 0.0 112.229 -178.496 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 111' ' ' ASN . . . . . 0.516 ' N ' ' O ' ' A' ' 107' ' ' HIS . 19.1 t-20 -104.11 -45.6 4.67 Favored 'General case' 0 N--CA 1.467 0.376 0 N-CA-C 112.755 0.65 . . . . 0.0 112.755 -178.401 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.455 ' O ' ' O ' ' A' ' 113' ' ' GLY . 81.1 mt -100.82 141.49 33.63 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 120.919 0.39 . . . . 0.0 111.573 -178.471 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 113' ' ' GLY . . . . . 0.554 ' O ' ' C ' ' A' ' 114' ' ' GLU . . . 58.61 129.2 0.01 OUTLIER Glycine 0 CA--C 1.523 0.537 0 N-CA-C 110.867 -0.893 . . . . 0.0 110.867 179.391 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 114' ' ' GLU . . . . . 0.554 ' C ' ' O ' ' A' ' 113' ' ' GLY . 78.7 mm-40 8.82 87.38 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.629 0 O-C-N 124.195 0.585 . . . . 0.0 111.355 179.687 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 52.5 mtpt -45.04 129.5 7.52 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.597 -177.646 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.676 HD12 ' HB3' ' A' ' 120' ' ' GLU . 4.3 mm? -87.06 157.87 19.33 Favored 'General case' 0 N--CA 1.462 0.169 0 N-CA-C 108.486 -0.931 . . . . 0.0 108.486 178.249 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 117' ' ' THR . . . . . 0.445 ' OG1' ' OE1' ' A' ' 120' ' ' GLU . 73.2 p -94.27 171.95 8.51 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 120.454 -0.498 . . . . 0.0 110.199 179.36 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 68.0 t0 -58.89 -41.82 88.06 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.167 -179.257 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -61.87 -41.01 97.33 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.85 -0.34 . . . . 0.0 110.575 -179.616 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 120' ' ' GLU . . . . . 0.676 ' HB3' HD12 ' A' ' 116' ' ' LEU . 1.0 OUTLIER -69.78 -41.42 75.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.977 0.418 . . . . 0.0 110.613 178.884 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.604 HG21 ' CG2' ' A' ' 110' ' ' THR . 62.6 t -65.65 -42.72 93.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.884 179.858 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -59.02 -40.81 86.1 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.297 -0.561 . . . . 0.0 110.228 -178.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 54.1 tp10 -63.44 -38.77 92.42 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.141 -0.688 . . . . 0.0 109.141 178.562 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 124' ' ' MET . . . . . 0.604 ' SD ' ' CE1' ' B' ' 50' ' ' PHE . 46.5 mmm -67.54 -39.21 85.0 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.351 -0.841 . . . . 0.0 110.59 179.197 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 125' ' ' ILE . . . . . 0.6 HG13 HD11 ' A' ' 130' ' ' ILE . 1.1 mp -62.05 -40.69 88.29 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.223 0 CA-C-N 116.042 -0.527 . . . . 0.0 111.225 -179.332 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 83.8 mtp180 -63.58 -26.1 68.54 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.022 0.439 . . . . 0.0 110.085 -179.724 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -97.01 -7.6 32.55 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.887 179.327 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.597 ' HB1' HG21 ' A' ' 136' ' ' VAL . . . -86.83 -79.24 0.27 Allowed 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.526 -178.885 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 129' ' ' ASP . . . . . 0.474 ' CB ' ' O ' ' A' ' 128' ' ' ALA . 1.5 m-20 159.47 -88.98 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.797 0 N-CA-C 111.679 0.251 . . . . 0.0 111.679 179.403 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 130' ' ' ILE . . . . . 0.6 HD11 HG13 ' A' ' 125' ' ' ILE . 67.6 mt 78.74 -73.85 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.371 0 O-C-N 124.237 0.961 . . . . 0.0 109.899 -177.912 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 52.49 41.69 31.02 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.68 179.484 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 71.98 -48.43 1.09 Allowed Glycine 0 CA--C 1.526 0.747 0 N-CA-C 111.224 -0.75 . . . . 0.0 111.224 179.683 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -57.62 -38.71 75.41 Favored 'General case' 0 C--N 1.333 -0.133 0 C-N-CA 121.083 -0.247 . . . . 0.0 110.604 -178.634 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 89.62 39.05 6.37 Favored Glycine 0 CA--C 1.525 0.661 0 C-N-CA 120.468 -0.872 . . . . 0.0 112.38 178.869 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 6.3 mm100 -124.52 144.01 50.35 Favored 'General case' 0 N--CA 1.463 0.217 0 C-N-CA 120.392 -0.523 . . . . 0.0 110.365 178.581 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 136' ' ' VAL . . . . . 0.697 HG23 ' HB2' ' A' ' 102' ' ' ALA . 38.3 t -130.19 134.88 61.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.626 -0.716 . . . . 0.0 112.161 -179.402 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 43.3 t30 -92.96 110.92 22.39 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 108.353 -0.98 . . . . 0.0 108.353 178.2 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 47.0 p90 -65.47 -8.92 21.62 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 112.441 0.534 . . . . 0.0 112.441 -178.238 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 15.9 tm-20 -60.59 -50.43 73.57 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 119.889 -0.724 . . . . 0.0 111.3 -179.004 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 140' ' ' GLU . . . . . 0.422 ' OE2' ' O ' ' A' ' 128' ' ' ALA . 24.9 pt-20 -62.52 -35.03 78.1 Favored 'General case' 0 CA--C 1.52 -0.198 0 C-N-CA 120.469 -0.492 . . . . 0.0 110.81 -179.145 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 141' ' ' PHE . . . . . 0.542 ' O ' ' SD ' ' A' ' 145' ' ' MET . 1.1 m-85 -62.83 -43.92 97.51 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 178.727 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 51.9 t -62.06 -40.8 88.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 C-N-CA 120.288 -0.565 . . . . 0.0 109.652 178.508 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 143' ' ' GLN . . . . . 0.412 ' O ' ' HB3' ' A' ' 147' ' ' ALA . 11.7 tp-100 -59.98 -42.14 93.52 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 178.843 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 66.9 mtp -61.45 -45.76 92.94 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-N 115.943 -0.572 . . . . 0.0 109.989 179.351 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 145' ' ' MET . . . . . 0.542 ' SD ' ' O ' ' A' ' 141' ' ' PHE . 0.0 OUTLIER -73.1 -19.84 61.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.681 -0.69 . . . . 0.0 111.599 -179.41 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 67.5 p -109.49 19.26 19.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.953 0.406 . . . . 0.0 110.281 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 147' ' ' ALA . . . . . 0.412 ' HB3' ' O ' ' A' ' 143' ' ' GLN . . . -166.3 -162.1 0.51 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.879 -0.6 . . . . 0.0 109.93 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 148' ' ' LYS . . . . . 0.401 ' OXT' ' NZ ' ' B' ' 56' ' ' LYS . 30.5 mmtt . . . . . 0 C--O 1.221 -0.415 0 CA-C-O 117.971 -1.014 . . . . 0.0 110.526 179.793 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 30' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.489 1.512 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 53.1 t0 58.0 42.51 22.6 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.178 0.513 . . . . 0.0 109.749 -179.344 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 72.1 mt -124.01 129.81 74.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.332 -0.849 . . . . 0.0 111.038 -179.629 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 33' ' ' ASP . . . . . 0.441 ' O ' ' OD1' ' B' ' 33' ' ' ASP . 46.1 p-10 -73.36 109.12 6.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.743 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 34' ' ' MET . . . . . . . . . . . . . 66.4 mtt -91.25 -1.3 57.71 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.637 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 55.3 p30 -83.38 1.48 41.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.1 -179.577 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -104.45 144.46 28.76 Favored Pre-proline 0 CA--C 1.533 0.314 0 C-N-CA 120.927 -0.309 . . . . 0.0 110.216 179.753 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -69.95 -27.93 24.94 Favored 'Trans proline' 0 N--CA 1.491 1.356 0 C-N-CA 122.333 2.022 . . . . 0.0 112.92 -179.826 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -63.11 -41.84 99.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.194 -179.32 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 94.2 m -63.91 -46.1 86.33 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.71 -0.396 . . . . 0.0 110.517 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -63.27 -42.83 99.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.425 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 43.5 mmm-85 -63.04 -40.01 96.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.4 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -61.61 -41.58 97.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.488 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -62.36 -41.54 98.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.443 179.818 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 56.3 t -62.83 -43.97 99.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.634 -179.551 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -60.39 -44.94 95.18 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.742 -0.383 . . . . 0.0 111.295 -178.876 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 46' ' ' ILE . . . . . 0.407 HG21 ' CE ' ' A' ' 109' ' ' MET . 97.1 mt -64.44 -47.21 90.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 120.944 0.402 . . . . 0.0 110.874 179.797 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 47' ' ' GLN . . . . . 0.413 HE21 ' HA ' ' A' ' 109' ' ' MET . 86.1 mt-30 -64.72 -40.8 95.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.96 -179.478 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 48.1 t -60.83 -46.27 91.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.148 -179.483 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 69.7 tp60 -66.37 -37.94 86.45 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 179.4 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 50' ' ' PHE . . . . . 0.604 ' CE1' ' SD ' ' A' ' 124' ' ' MET . 48.9 t80 -59.74 -42.88 94.16 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.8 179.708 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 44.5 ttm180 -57.29 -40.1 77.11 Favored 'General case' 0 C--N 1.324 -0.523 0 C-N-CA 120.489 -0.484 . . . . 0.0 110.015 -179.753 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 64.3 mmtt -62.02 -36.5 81.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.14 179.401 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 53' ' ' PHE . . . . . . . . . . . . . 51.8 t80 -57.65 -42.26 83.12 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.34 -179.656 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 31.7 mt-30 -61.27 -39.9 92.12 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.655 -179.659 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 63.1 mttp -61.88 -39.51 92.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.641 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 56' ' ' LYS . . . . . 0.401 ' NZ ' ' OXT' ' A' ' 148' ' ' LYS . 59.6 mtpt -61.83 -39.96 93.61 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.371 -179.844 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 13.1 mttm -69.66 -36.73 76.31 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.917 0.389 . . . . 0.0 110.378 179.085 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -78.06 -1.43 32.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.624 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . -76.76 -177.48 44.88 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.836 -0.905 . . . . 0.0 110.836 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 98.0 p -142.59 161.98 36.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.851 0.358 . . . . 0.0 110.718 -179.555 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -62.54 -39.96 95.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.669 -179.679 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 40.6 m . . . . . 0 C--O 1.221 -0.426 0 CA-C-O 117.985 -1.007 . . . . 0.0 110.522 -179.939 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 1.2 tpt . . . . . 0 N--CA 1.491 1.578 0 N-CA-C 109.187 -0.671 . . . . 0.0 109.187 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 38.9 ttpt -145.12 144.34 30.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.484 -179.828 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -54.72 158.49 2.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.057 0.456 . . . . 0.0 110.861 -179.416 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -179.23 52.09 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.004 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 24.5 m-20 -137.52 107.01 6.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.009 -179.502 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 66.5 m -81.97 -8.72 59.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.839 179.644 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 23.4 pt-20 -55.17 -32.82 62.46 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 120.23 -0.588 . . . . 0.0 109.576 -179.577 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -66.46 -34.22 77.45 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.325 -0.852 . . . . 0.0 110.266 179.459 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 53.4 tp10 -63.32 -45.61 90.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.251 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 4.7 mm -67.02 -41.04 86.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.602 179.725 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 79.3 mtp180 -60.54 -35.67 76.58 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.996 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 16.0 tm-20 -55.45 -41.18 72.54 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.19 -35.09 74.59 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.642 179.231 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 72.9 m-85 -77.78 -41.86 35.92 Favored 'General case' 0 C--N 1.333 -0.14 0 C-N-CA 120.739 -0.384 . . . . 0.0 110.314 178.337 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -49.08 -27.0 3.01 Favored 'General case' 0 N--CA 1.462 0.129 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.493 -178.748 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 54.5 t -61.17 -39.62 83.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 N-CA-C 109.913 -0.403 . . . . 0.0 109.913 178.596 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -87.11 -26.92 23.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.043 -179.656 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.421 ' OD1' ' O ' ' A' ' 99' ' ' TYR . 46.1 t0 -87.17 71.49 10.09 Favored 'General case' 0 N--CA 1.464 0.225 0 N-CA-C 109.938 -0.393 . . . . 0.0 109.938 179.387 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 23.4 pttp -70.63 -22.19 62.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.925 0.393 . . . . 0.0 111.46 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -76.1 -26.12 56.11 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.692 179.801 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 66.55 29.68 75.2 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.708 -0.957 . . . . 0.0 110.708 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -97.55 -1.17 44.52 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.669 0.271 . . . . 0.0 110.801 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 94.38 7.62 60.46 Favored Glycine 0 CA--C 1.529 0.925 0 N-CA-C 111.303 -0.719 . . . . 0.0 111.303 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.454 ' CD1' ' N ' ' A' ' 99' ' ' TYR . 15.3 m-85 -135.23 157.55 46.64 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-O 121.191 0.519 . . . . 0.0 111.646 -179.442 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.447 HD11 HD13 ' A' ' 105' ' ' LEU . 0.2 OUTLIER -131.46 146.94 32.84 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.142 0 N-CA-C 107.949 -1.13 . . . . 0.0 107.949 178.015 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 67.5 m -59.35 133.59 56.24 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 119.622 -0.831 . . . . 0.0 109.643 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.646 ' HB2' HG23 ' A' ' 136' ' ' VAL . . . -64.47 -39.12 93.21 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.034 0.445 . . . . 0.0 111.146 -179.751 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -60.08 -42.06 93.78 Favored 'General case' 0 CA--C 1.534 0.328 0 N-CA-C 112.978 0.733 . . . . 0.0 112.978 -177.66 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.711 ' O ' HG23 ' A' ' 108' ' ' VAL . 1.0 OUTLIER -68.62 -27.7 66.26 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.38 -0.528 . . . . 0.0 111.047 -179.067 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.447 HD13 HD11 ' A' ' 100' ' ' ILE . 20.7 tp -62.46 -48.16 80.86 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.43 ' C ' ' CD ' ' A' ' 106' ' ' ARG . 0.0 OUTLIER -57.9 -51.36 69.95 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.391 -179.367 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 107' ' ' HIS . . . . . 0.615 ' CE1' ' ND2' ' A' ' 111' ' ' ASN . 82.3 t60 -60.25 -45.33 93.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.234 0.54 . . . . 0.0 110.535 179.361 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.711 HG23 ' O ' ' A' ' 104' ' ' GLU . 58.0 t -61.86 -38.24 80.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 115.301 -0.863 . . . . 0.0 111.285 -179.844 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 109' ' ' MET . . . . . 0.458 ' HA ' HE21 ' B' ' 47' ' ' GLN . 0.0 OUTLIER -76.85 -27.51 55.12 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.98 -179.597 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.504 ' CG2' HG21 ' A' ' 121' ' ' VAL . 81.2 p -104.47 -16.48 15.06 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 120.648 -0.421 . . . . 0.0 111.808 -178.878 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 111' ' ' ASN . . . . . 0.615 ' ND2' ' CE1' ' A' ' 107' ' ' HIS . 58.8 t30 -108.86 -38.83 5.5 Favored 'General case' 0 N--CA 1.464 0.272 0 N-CA-C 112.538 0.57 . . . . 0.0 112.538 -178.706 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.465 ' O ' ' O ' ' A' ' 113' ' ' GLY . 68.4 mt -106.01 140.35 39.14 Favored 'General case' 0 N--CA 1.466 0.343 0 C-N-CA 120.899 -0.321 . . . . 0.0 111.416 -178.55 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 113' ' ' GLY . . . . . 0.552 ' O ' ' C ' ' A' ' 114' ' ' GLU . . . 58.37 125.39 0.01 OUTLIER Glycine 0 CA--C 1.523 0.537 0 N-CA-C 110.866 -0.894 . . . . 0.0 110.866 179.288 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 114' ' ' GLU . . . . . 0.552 ' C ' ' O ' ' A' ' 113' ' ' GLY . 98.8 mt-10 11.84 87.33 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.664 0 O-C-N 124.177 0.575 . . . . 0.0 111.037 179.643 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -46.27 130.94 10.62 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 120.994 0.426 . . . . 0.0 111.928 -177.375 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.68 HD12 ' HB3' ' A' ' 120' ' ' GLU . 4.3 mm? -89.0 157.09 18.49 Favored 'General case' 0 N--CA 1.462 0.17 0 N-CA-C 108.661 -0.866 . . . . 0.0 108.661 178.332 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 117' ' ' THR . . . . . 0.536 ' O ' HG23 ' A' ' 121' ' ' VAL . 72.8 p -92.93 171.58 8.87 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.68 -0.408 . . . . 0.0 110.227 179.486 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -59.3 -41.11 88.24 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.846 -0.342 . . . . 0.0 110.981 -179.003 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -62.01 -41.43 98.06 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.805 -0.358 . . . . 0.0 110.532 -179.688 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 120' ' ' GLU . . . . . 0.68 ' HB3' HD12 ' A' ' 116' ' ' LEU . 0.8 OUTLIER -69.35 -40.71 77.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.96 0.41 . . . . 0.0 110.117 178.56 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.536 HG23 ' O ' ' A' ' 117' ' ' THR . 62.3 t -63.77 -45.16 98.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.94 179.739 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -58.3 -40.67 82.62 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.344 -0.542 . . . . 0.0 110.437 -178.658 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 15.4 tm-20 -64.03 -38.57 91.55 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 178.43 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 124' ' ' MET . . . . . 0.592 ' SD ' ' CE1' ' B' ' 50' ' ' PHE . 48.7 mmm -67.66 -39.98 84.52 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.306 -0.861 . . . . 0.0 110.774 179.536 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 1.2 mp -63.01 -39.53 85.55 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.118 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.785 -179.365 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 13.6 tpp85 -62.89 -28.86 70.34 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.408 179.753 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -96.02 -10.3 28.87 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.987 -0.552 . . . . 0.0 111.227 179.788 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.582 ' HB1' HG21 ' A' ' 136' ' ' VAL . . . -79.46 -68.01 0.7 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.562 -178.93 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 129' ' ' ASP . . . . . 0.471 ' CB ' ' O ' ' A' ' 128' ' ' ALA . 9.5 m-20 156.83 -94.63 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.78 0 CA-C-O 120.961 0.41 . . . . 0.0 111.341 179.467 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 130' ' ' ILE . . . . . 0.717 ' O ' HG22 ' A' ' 130' ' ' ILE . 95.9 mt 60.28 55.62 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.768 -178.289 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 65.0 t0 -83.31 69.4 9.96 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 108.638 -0.875 . . . . 0.0 108.638 178.597 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 45.47 28.39 2.3 Favored Glycine 0 CA--C 1.526 0.725 0 N-CA-C 110.091 -1.204 . . . . 0.0 110.091 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -129.06 -21.87 3.24 Favored 'General case' 0 N--CA 1.462 0.153 0 CA-C-O 120.635 0.255 . . . . 0.0 111.368 -179.38 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 74.51 27.43 65.5 Favored Glycine 0 CA--C 1.532 1.108 0 C-N-CA 121.104 -0.57 . . . . 0.0 112.608 179.255 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 12.6 pt20 -124.64 149.52 47.02 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-N 117.26 0.53 . . . . 0.0 110.789 179.246 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 136' ' ' VAL . . . . . 0.646 HG23 ' HB2' ' A' ' 102' ' ' ALA . 25.3 t -132.53 135.34 57.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.671 -0.695 . . . . 0.0 112.166 -179.244 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 137' ' ' ASN . . . . . 0.558 ' O ' ' ND2' ' A' ' 137' ' ' ASN . 0.4 OUTLIER -92.96 110.75 22.22 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.703 -0.68 . . . . 0.0 109.555 178.468 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 41.9 p90 -62.92 -12.08 22.84 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.617 -0.433 . . . . 0.0 111.681 -178.754 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -58.71 -49.63 76.88 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.154 -0.619 . . . . 0.0 110.269 -179.377 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -61.32 -39.93 92.35 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 120.929 -0.308 . . . . 0.0 111.155 -179.348 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -61.81 -42.53 99.13 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.446 -0.501 . . . . 0.0 109.994 179.095 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 54.7 t -64.65 -40.78 90.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 C-N-CA 120.616 -0.434 . . . . 0.0 110.18 178.881 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 11.0 tp-100 -59.93 -41.49 91.9 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 108.95 -0.759 . . . . 0.0 108.95 179.13 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 69.7 mtp -59.51 -43.15 93.45 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 108.658 -0.867 . . . . 0.0 108.658 179.325 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 68.4 mtt -70.89 -19.31 62.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.491 -0.777 . . . . 0.0 111.797 -179.715 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 77.6 p -118.52 18.44 13.54 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-O 120.507 0.194 . . . . 0.0 110.817 -179.666 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -129.88 41.76 3.38 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.464 -0.334 . . . . 0.0 110.667 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 7.1 tptm . . . . . 0 C--O 1.22 -0.452 0 CA-C-O 118.028 -0.987 . . . . 0.0 110.449 179.863 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 30' ' ' PHE . . . . . 0.512 ' N ' ' CD1' ' B' ' 30' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.505 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -100.55 64.57 1.14 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.848 -179.749 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 32' ' ' ILE . . . . . 0.413 HG21 HD13 ' B' ' 32' ' ' ILE . 2.5 pt -130.69 165.34 31.28 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-N 116.475 -0.329 . . . . 0.0 110.311 179.799 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 66.5 m-20 -83.73 80.45 9.13 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.625 -0.43 . . . . 0.0 110.128 179.558 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 34' ' ' MET . . . . . 0.442 ' O ' ' OE2' ' B' ' 40' ' ' GLU . 54.9 mtt -63.2 -35.94 81.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.923 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -60.29 -37.51 80.74 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.664 -179.239 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.92 121.27 60.76 Favored Pre-proline 0 CA--C 1.543 0.687 0 C-N-CA 120.66 -0.416 . . . . 0.0 110.168 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 76.5 Cg_exo -51.64 -35.19 56.27 Favored 'Trans proline' 0 N--CA 1.501 1.962 0 C-N-CA 122.012 1.808 . . . . 0.0 112.962 179.29 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 24.4 pt-20 -55.3 -34.8 64.46 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.317 -178.753 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 97.0 m -61.75 -48.43 80.71 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.738 -0.385 . . . . 0.0 110.747 -179.618 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 40' ' ' GLU . . . . . 0.442 ' OE2' ' O ' ' B' ' 34' ' ' MET . 25.7 mp0 -64.54 -40.36 95.45 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.236 0.541 . . . . 0.0 109.991 179.172 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 29.7 tpt180 -61.04 -45.45 94.72 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.393 -0.821 . . . . 0.0 110.182 179.592 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -61.46 -39.87 92.45 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.177 179.675 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -61.43 -40.8 95.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.2 179.739 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 58.1 t -62.4 -45.28 99.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.727 -179.564 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 45' ' ' ALA . . . . . 0.453 ' O ' ' OE1' ' B' ' 49' ' ' GLN . . . -60.74 -44.41 96.72 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.783 -0.367 . . . . 0.0 111.021 -179.108 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 90.6 mt -62.69 -46.13 97.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-O 120.88 0.371 . . . . 0.0 110.629 179.709 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 47' ' ' GLN . . . . . 0.535 ' NE2' ' O ' ' A' ' 113' ' ' GLY . 88.5 mt-30 -65.26 -40.23 93.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.947 179.783 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 48.3 t -60.52 -47.38 86.42 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.551 -179.385 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 49' ' ' GLN . . . . . 0.453 ' OE1' ' O ' ' B' ' 45' ' ' ALA . 7.1 mp0 -65.91 -36.43 83.38 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.161 178.832 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 50' ' ' PHE . . . . . 0.626 ' CE2' ' NE2' ' B' ' 54' ' ' GLN . 34.1 t80 -59.82 -46.77 88.21 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.978 179.76 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 5.3 mtp180 -60.69 -38.09 83.82 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 120.74 -0.384 . . . . 0.0 110.245 -179.64 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -60.98 -38.05 84.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.896 0.379 . . . . 0.0 110.31 179.512 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 53' ' ' PHE . . . . . . . . . . . . . 68.0 t80 -58.81 -45.43 89.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.148 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 54' ' ' GLN . . . . . 0.626 ' NE2' ' CE2' ' B' ' 50' ' ' PHE . 76.4 mt-30 -61.78 -39.92 93.39 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.949 -179.66 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 59.5 mtpt -61.58 -39.2 90.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.86 -179.59 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 5.1 mptp? -57.76 -51.11 70.92 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.525 -0.47 . . . . 0.0 110.04 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 57' ' ' LYS . . . . . 0.535 ' O ' ' N ' ' B' ' 60' ' ' SER . 25.6 mmtp -65.18 -40.41 94.21 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.927 0.394 . . . . 0.0 110.163 179.27 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . 40.95 48.43 2.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.678 179.811 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 59' ' ' GLY . . . . . 0.476 ' O ' ' CB ' ' B' ' 60' ' ' SER . . . 78.29 16.28 79.79 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 111.073 -0.811 . . . . 0.0 111.073 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 60' ' ' SER . . . . . 0.535 ' N ' ' O ' ' B' ' 57' ' ' LYS . 0.7 OUTLIER 80.43 -160.06 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.786 0.326 . . . . 0.0 110.565 -179.867 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 16.5 pt20 -65.03 150.39 48.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.667 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 58.3 m . . . . . 0 C--O 1.221 -0.442 0 CA-C-O 118.014 -0.993 . . . . 0.0 110.57 -179.984 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 16.1 mmt . . . . . 0 N--CA 1.489 1.512 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 64.0 mttp 54.54 -157.37 0.21 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.384 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 47.0 t0 -90.39 56.87 3.49 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.798 -0.361 . . . . 0.0 110.527 179.777 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 11.1 p 46.2 -155.19 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.256 -179.66 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 39.0 t0 -113.84 165.94 12.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.514 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 68.3 m -79.8 -6.76 57.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.311 179.755 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.515 ' OE2' ' NH2' ' A' ' 86' ' ' ARG . 88.6 tt0 -57.01 -39.66 75.14 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 179.802 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 3.0 pp20? -62.1 -34.84 77.07 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.389 -0.823 . . . . 0.0 110.501 179.325 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -63.92 -43.42 95.97 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.539 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 4.9 mm -65.22 -41.3 91.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.037 179.769 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.515 ' NH2' ' OE2' ' A' ' 82' ' ' GLU . 99.6 mtt180 -60.44 -36.32 77.93 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.865 -179.838 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 53.8 tp10 -55.82 -39.72 71.77 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.26 -0.645 . . . . 0.0 109.26 -179.646 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.9 -36.44 79.28 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.041 179.504 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 77.9 m-85 -77.88 -42.06 34.62 Favored 'General case' 0 C--N 1.332 -0.193 0 C-N-CA 120.755 -0.378 . . . . 0.0 110.57 178.807 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? -45.63 -30.87 1.65 Allowed 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.33 -179.481 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.465 HG11 HG23 ' B' ' 39' ' ' THR . 53.2 t -61.46 -39.46 82.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.51 179.491 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -85.18 -25.23 27.53 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.609 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 67.8 t0 -90.79 84.83 5.88 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 178.638 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 25.8 tttp -87.52 -22.72 24.7 Favored 'General case' 0 N--CA 1.448 -0.552 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.754 -179.407 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -74.08 -26.54 60.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.992 0.425 . . . . 0.0 109.893 178.784 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 70.56 26.56 73.91 Favored Glycine 0 CA--C 1.526 0.725 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -93.8 -2.9 52.96 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.99 -0.284 . . . . 0.0 111.189 -179.83 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' GLY . . . . . 0.414 ' C ' ' CD1' ' A' ' 99' ' ' TYR . . . 93.53 9.79 59.82 Favored Glycine 0 CA--C 1.531 1.032 0 N-CA-C 111.355 -0.698 . . . . 0.0 111.355 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.446 ' CD1' ' N ' ' A' ' 99' ' ' TYR . 21.2 m-85 -136.55 158.68 43.86 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-O 121.217 0.532 . . . . 0.0 112.209 -179.647 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.401 HD13 HG21 ' A' ' 100' ' ' ILE . 1.4 pt -130.43 144.25 38.53 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.149 0 N-CA-C 108.435 -0.95 . . . . 0.0 108.435 178.161 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 71.7 m -70.33 104.1 2.59 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 119.821 -0.751 . . . . 0.0 109.04 179.071 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.523 ' HB3' ' O ' ' A' ' 134' ' ' GLY . . . -48.82 -21.22 0.59 Allowed 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 112.501 0.556 . . . . 0.0 112.501 -177.387 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -61.34 -41.03 96.38 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 119.741 -0.783 . . . . 0.0 109.041 178.673 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.716 ' O ' HG23 ' A' ' 108' ' ' VAL . 4.7 pt-20 -73.15 -29.35 62.81 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.176 179.782 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 46.6 tp -61.18 -48.92 79.31 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 -179.765 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.483 ' O ' HG23 ' A' ' 110' ' ' THR . 8.3 tmm_? -57.71 -49.42 76.61 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.466 -179.262 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 107' ' ' HIS . . . . . 0.527 ' O ' ' N ' ' A' ' 111' ' ' ASN . 86.1 t60 -60.7 -44.22 96.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.35 0.595 . . . . 0.0 109.964 179.552 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.716 HG23 ' O ' ' A' ' 104' ' ' GLU . 58.6 t -62.08 -39.32 83.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 115.143 -0.935 . . . . 0.0 111.123 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -76.77 -22.41 53.79 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.3 -179.599 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.483 HG23 ' O ' ' A' ' 106' ' ' ARG . 71.8 p -106.05 -17.79 14.23 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.734 -0.386 . . . . 0.0 111.766 -178.514 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 111' ' ' ASN . . . . . 0.527 ' N ' ' O ' ' A' ' 107' ' ' HIS . 2.6 t-20 -109.96 -34.96 6.27 Favored 'General case' 0 N--CA 1.466 0.335 0 N-CA-C 112.624 0.602 . . . . 0.0 112.624 -178.486 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.466 ' O ' ' O ' ' A' ' 113' ' ' GLY . 86.6 mt -107.52 140.23 40.83 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-O 120.87 0.367 . . . . 0.0 111.729 -178.752 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 113' ' ' GLY . . . . . 0.569 ' O ' ' C ' ' A' ' 114' ' ' GLU . . . 55.94 124.3 0.01 OUTLIER Glycine 0 CA--C 1.524 0.612 0 CA-C-N 115.552 -0.749 . . . . 0.0 111.364 179.195 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 114' ' ' GLU . . . . . 0.569 ' C ' ' O ' ' A' ' 113' ' ' GLY . 98.8 mt-10 13.66 88.14 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.68 0 O-C-N 123.776 0.339 . . . . 0.0 110.957 179.483 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 62.6 mttp -47.45 134.48 11.86 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.621 -177.355 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.614 HD12 ' HB3' ' A' ' 120' ' ' GLU . 4.3 mm? -90.32 157.87 17.43 Favored 'General case' 0 N--CA 1.463 0.178 0 N-CA-C 108.895 -0.779 . . . . 0.0 108.895 178.786 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 117' ' ' THR . . . . . 0.536 ' O ' HG23 ' A' ' 121' ' ' VAL . 69.5 p -90.66 168.42 11.79 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.781 -0.368 . . . . 0.0 110.062 179.321 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -59.45 -40.7 87.71 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.799 -0.36 . . . . 0.0 110.598 -179.466 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 53.3 tp10 -62.36 -42.33 99.31 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.095 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 120' ' ' GLU . . . . . 0.614 ' HB3' HD12 ' A' ' 116' ' ' LEU . 52.6 mt-10 -69.51 -39.78 77.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.119 178.826 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.536 HG23 ' O ' ' A' ' 117' ' ' THR . 66.6 t -64.93 -43.47 96.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.857 179.356 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -59.91 -40.94 90.52 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 120.369 -0.532 . . . . 0.0 109.838 -179.091 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -63.83 -40.07 95.72 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 178.37 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 124' ' ' MET . . . . . 0.597 ' SD ' ' CD1' ' B' ' 50' ' ' PHE . 47.3 mmm -63.38 -41.42 98.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.401 -0.818 . . . . 0.0 110.357 179.448 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 125' ' ' ILE . . . . . 0.446 HD13 HG12 ' A' ' 121' ' ' VAL . 0.9 OUTLIER -67.02 -34.25 68.64 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.132 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.612 -179.729 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 1.2 mmp_? -63.19 -32.06 73.36 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.611 -179.741 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -95.56 -10.12 30.47 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.801 179.493 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.617 ' HB1' HG21 ' A' ' 136' ' ' VAL . . . -78.66 -74.35 0.28 Allowed 'General case' 0 CA--C 1.533 0.294 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.286 -179.397 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 129' ' ' ASP . . . . . 0.513 ' CG ' ' N ' ' A' ' 130' ' ' ILE . 28.0 t70 168.26 -107.97 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.891 0 O-C-N 123.675 0.609 . . . . 0.0 110.839 179.118 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 130' ' ' ILE . . . . . 0.731 ' O ' HG22 ' A' ' 130' ' ' ILE . 77.9 mt 61.29 50.15 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 115.138 -0.937 . . . . 0.0 112.163 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -62.48 -41.91 99.12 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 178.6 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -161.99 -54.15 0.02 OUTLIER Glycine 0 CA--C 1.526 0.754 0 CA-C-N 115.679 -0.691 . . . . 0.0 111.576 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -60.56 -37.97 83.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.896 0.379 . . . . 0.0 110.756 -179.423 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 134' ' ' GLY . . . . . 0.523 ' O ' ' HB3' ' A' ' 102' ' ' ALA . . . 105.87 -23.43 29.4 Favored Glycine 0 CA--C 1.525 0.672 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.701 179.59 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 17.0 pt20 -58.49 148.3 28.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 117.572 0.686 . . . . 0.0 111.119 -179.545 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 136' ' ' VAL . . . . . 0.617 HG21 ' HB1' ' A' ' 128' ' ' ALA . 1.8 t -128.26 134.58 64.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.153 -179.546 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 137' ' ' ASN . . . . . 0.438 ' OD1' ' O ' ' A' ' 137' ' ' ASN . 37.0 p-10 -93.17 114.69 27.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.861 179.244 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 46.6 p90 -65.07 -9.24 20.77 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 112.196 0.443 . . . . 0.0 112.196 -178.732 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 52.9 tp10 -59.53 -49.86 76.13 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 120.198 -0.601 . . . . 0.0 110.463 -179.182 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 140' ' ' GLU . . . . . 0.408 ' HG2' HD21 ' A' ' 137' ' ' ASN . 76.9 mm-40 -60.34 -38.37 83.58 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 120.627 0.251 . . . . 0.0 111.049 -179.081 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 141' ' ' PHE . . . . . 0.434 ' CE1' ' CE ' ' A' ' 144' ' ' MET . 2.1 m-85 -61.3 -43.5 98.76 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 120.514 -0.474 . . . . 0.0 109.869 178.712 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 53.7 t -64.72 -45.39 95.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.637 178.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 143' ' ' GLN . . . . . 0.643 ' O ' ' HB3' ' A' ' 147' ' ' ALA . 53.6 mt-30 -63.08 -41.69 99.47 Favored 'General case' 0 CA--C 1.521 -0.157 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 179.019 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 144' ' ' MET . . . . . 0.434 ' CE ' ' CE1' ' A' ' 141' ' ' PHE . 2.6 ttp -60.73 -46.54 90.04 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.328 -0.851 . . . . 0.0 109.11 178.358 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 8.8 mtm -74.5 -18.84 60.55 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.783 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 75.8 p -114.36 16.38 17.85 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.023 0.439 . . . . 0.0 110.401 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 147' ' ' ALA . . . . . 0.643 ' HB3' ' O ' ' A' ' 143' ' ' GLN . . . -155.82 -172.14 4.02 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.626 179.712 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.22 -0.486 0 CA-C-O 117.985 -1.007 . . . . 0.0 110.338 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 30' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.49 1.556 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 58.0 p30 -92.89 10.43 31.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.706 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 32' ' ' ILE . . . . . 0.422 HD13 HG21 ' B' ' 32' ' ' ILE . 1.9 pt -82.7 156.01 3.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.552 -179.321 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 65.7 m-20 -85.71 80.54 8.94 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.403 -0.591 . . . . 0.0 109.403 179.214 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 34' ' ' MET . . . . . . . . . . . . . 78.2 mtp -63.86 -36.03 82.6 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.206 -178.789 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -60.79 -38.0 83.81 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.109 -178.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.4 120.93 56.25 Favored Pre-proline 0 CA--C 1.54 0.591 0 C-N-CA 120.594 -0.442 . . . . 0.0 110.494 -179.674 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_exo -51.92 -33.57 52.35 Favored 'Trans proline' 0 N--CA 1.5 1.872 0 C-N-CA 122.023 1.816 . . . . 0.0 112.45 178.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -60.77 -38.41 85.18 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.964 -179.322 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 39' ' ' THR . . . . . 0.465 HG23 HG11 ' A' ' 91' ' ' VAL . 98.3 m -60.22 -45.86 91.76 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 120.885 -0.326 . . . . 0.0 110.621 -179.768 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 15.9 tm-20 -62.49 -42.2 99.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.367 -0.378 . . . . 0.0 110.443 179.801 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 31.9 mmt180 -63.07 -38.61 91.89 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.541 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -60.32 -39.1 85.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.38 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -60.65 -40.02 90.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.21 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 59.6 t -61.97 -44.1 98.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.443 -179.56 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -60.38 -45.68 92.68 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.739 -0.384 . . . . 0.0 111.253 -179.155 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 91.5 mt -65.31 -45.09 94.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-O 120.963 0.411 . . . . 0.0 111.054 179.749 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 47' ' ' GLN . . . . . 0.524 ' NE2' ' O ' ' A' ' 113' ' ' GLY . 93.6 mt-30 -63.06 -41.06 99.38 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.36 -179.604 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 74.7 m -61.96 -41.95 98.56 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 120.649 -0.42 . . . . 0.0 110.014 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 73.0 mm-40 -65.98 -39.4 90.33 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.684 179.615 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 50' ' ' PHE . . . . . 0.597 ' CD1' ' SD ' ' A' ' 124' ' ' MET . 39.3 t80 -59.88 -48.24 82.51 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 120.681 -0.408 . . . . 0.0 110.389 179.761 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 43.8 ttm180 -61.36 -41.36 96.95 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.048 0.451 . . . . 0.0 109.795 179.188 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 27.5 tptp -60.94 -38.41 85.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.395 179.786 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 53' ' ' PHE . . . . . . . . . . . . . 51.3 t80 -56.5 -45.74 80.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.551 -179.26 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 29.9 mm100 -61.63 -40.12 93.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.517 -179.545 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -62.47 -39.31 93.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.764 0.316 . . . . 0.0 110.665 179.789 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 20.8 ttmm -60.51 -43.67 96.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.31 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 64.9 tttp -60.78 -43.63 97.84 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.437 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.95 -40.37 93.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.537 -179.786 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 80.39 -171.68 54.25 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 111.24 -0.744 . . . . 0.0 111.24 179.821 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 70.2 m -105.05 22.58 15.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.642 0.258 . . . . 0.0 110.643 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 20.1 pt20 -134.89 156.49 48.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.796 -179.456 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 68.2 p . . . . . 0 C--O 1.22 -0.489 0 CA-C-O 118.054 -0.974 . . . . 0.0 110.584 -179.911 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 60.4 ttm . . . . . 0 N--CA 1.489 1.517 0 N-CA-C 109.238 -0.652 . . . . 0.0 109.238 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 64.1 mttp -71.87 150.09 44.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.486 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 67.8 m-20 57.4 40.92 27.05 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.395 -179.441 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.467 ' O ' ' C ' ' A' ' 80' ' ' ASP . 3.5 t -71.98 57.27 0.32 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.222 179.874 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.467 ' C ' ' O ' ' A' ' 79' ' ' THR . 98.9 m-20 -22.52 105.22 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.412 0 O-C-N 123.966 0.791 . . . . 0.0 111.981 -178.785 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 71.0 m -83.22 -4.98 58.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.445 -0.798 . . . . 0.0 111.055 179.799 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -57.54 -39.55 76.88 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.405 -0.518 . . . . 0.0 109.721 -179.209 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -64.52 -39.56 93.99 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.73 179.086 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -62.88 -44.95 94.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.191 -179.616 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 4.8 mm -67.45 -43.12 87.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.81 0.338 . . . . 0.0 110.544 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -60.46 -36.29 77.9 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.968 -179.804 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -55.06 -41.23 71.23 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.025 -0.731 . . . . 0.0 109.025 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -59.45 -35.86 74.86 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.752 179.588 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 82.7 m-85 -80.06 -41.24 26.03 Favored 'General case' 0 C--N 1.332 -0.161 0 C-N-CA 120.662 -0.415 . . . . 0.0 110.338 178.653 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -49.85 -26.97 4.51 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.441 -178.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 53.9 t -61.81 -40.25 86.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 N-CA-C 110.075 -0.343 . . . . 0.0 110.075 178.525 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -83.9 -24.92 30.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.706 -179.709 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 65.9 t0 -91.71 84.64 5.47 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 178.569 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 5.2 ttmt -86.38 -18.33 32.11 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.645 -179.185 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 70.8 m-20 -81.84 -25.94 34.7 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.72 -0.392 . . . . 0.0 110.075 179.051 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 70.69 29.76 69.2 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.842 -0.903 . . . . 0.0 110.842 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 17.2 t-20 -92.71 -5.97 50.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.617 0.246 . . . . 0.0 110.88 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' GLY . . . . . 0.417 ' C ' ' CD1' ' A' ' 99' ' ' TYR . . . 94.28 9.42 59.23 Favored Glycine 0 CA--C 1.529 0.928 0 N-CA-C 111.325 -0.71 . . . . 0.0 111.325 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.424 ' CD1' ' N ' ' A' ' 99' ' ' TYR . 32.9 m-85 -137.53 158.3 44.69 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.133 0.492 . . . . 0.0 111.919 -179.653 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 3.3 pt -130.04 145.6 35.39 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.159 0 N-CA-C 107.485 -1.302 . . . . 0.0 107.485 178.033 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 66.8 m -63.93 136.48 57.39 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 119.809 -0.756 . . . . 0.0 110.693 -179.566 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.567 ' HB2' HG23 ' A' ' 136' ' ' VAL . . . -64.27 -38.47 91.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.949 -179.823 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -59.64 -40.63 88.3 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.951 -177.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.565 ' O ' HG23 ' A' ' 108' ' ' VAL . 4.5 pt-20 -70.22 -27.88 64.83 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 120.45 -0.5 . . . . 0.0 110.49 -179.259 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 24.2 tp -61.28 -50.41 73.13 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.794 ' CZ ' HG11 ' A' ' 121' ' ' VAL . 8.2 tpp180 -55.33 -51.37 66.96 Favored 'General case' 0 N--CA 1.462 0.152 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.181 -179.883 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 107' ' ' HIS . . . . . 0.582 ' CE1' ' ND2' ' A' ' 111' ' ' ASN . 82.3 t60 -61.87 -47.06 86.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.096 0.474 . . . . 0.0 111.611 179.751 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.565 HG23 ' O ' ' A' ' 104' ' ' GLU . 53.1 t -62.2 -39.86 85.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 115.629 -0.714 . . . . 0.0 112.096 -178.868 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -75.1 -25.19 58.32 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.659 -179.522 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.463 ' CG2' HG21 ' A' ' 121' ' ' VAL . 72.9 p -106.01 -16.94 14.49 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 120.679 -0.408 . . . . 0.0 111.851 -178.647 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 111' ' ' ASN . . . . . 0.582 ' ND2' ' CE1' ' A' ' 107' ' ' HIS . 59.4 t30 -106.6 -37.19 6.52 Favored 'General case' 0 CA--C 1.533 0.312 0 N-CA-C 112.38 0.511 . . . . 0.0 112.38 -178.765 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.452 ' O ' ' O ' ' A' ' 113' ' ' GLY . 83.9 mt -108.69 140.57 41.91 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-O 120.961 0.41 . . . . 0.0 111.673 -178.698 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 113' ' ' GLY . . . . . 0.547 ' O ' ' C ' ' A' ' 114' ' ' GLU . . . 57.04 124.23 0.01 OUTLIER Glycine 0 CA--C 1.524 0.605 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.475 179.162 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 114' ' ' GLU . . . . . 0.547 ' C ' ' O ' ' A' ' 113' ' ' GLY . 43.8 mp0 14.19 88.52 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.658 0 O-C-N 124.054 0.502 . . . . 0.0 110.917 179.481 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 62.6 mttp -47.16 131.46 12.79 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 120.974 0.416 . . . . 0.0 111.556 -177.244 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.634 HD12 ' HB3' ' A' ' 120' ' ' GLU . 4.2 mm? -89.69 156.88 18.26 Favored 'General case' 0 N--CA 1.462 0.142 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 178.869 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 117' ' ' THR . . . . . 0.414 ' O ' HG23 ' A' ' 121' ' ' VAL . 64.3 p -88.01 166.97 14.09 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 109.883 -0.414 . . . . 0.0 109.883 179.085 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -59.88 -39.78 86.42 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 120.726 -0.39 . . . . 0.0 110.691 -179.52 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -63.03 -41.06 99.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.903 0.382 . . . . 0.0 110.016 179.753 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 120' ' ' GLU . . . . . 0.634 ' HB3' HD12 ' A' ' 116' ' ' LEU . 52.3 mt-10 -69.73 -40.01 76.47 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.264 179.07 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.794 HG11 ' CZ ' ' A' ' 106' ' ' ARG . 56.1 t -63.18 -41.93 94.61 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 116.052 -0.522 . . . . 0.0 109.792 178.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 68.1 t0 -59.65 -42.59 93.14 Favored 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 120.548 -0.461 . . . . 0.0 110.305 -179.299 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 -61.94 -40.17 94.6 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.452 0.644 . . . . 0.0 109.46 179.163 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 124' ' ' MET . . . . . 0.596 ' SD ' ' CD1' ' B' ' 50' ' ' PHE . 46.3 mmm -64.66 -41.06 96.36 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.041 -0.981 . . . . 0.0 109.889 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 125' ' ' ILE . . . . . 0.513 HD13 HG12 ' A' ' 121' ' ' VAL . 0.9 OUTLIER -65.5 -37.24 79.55 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.167 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.541 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 17.6 tpp180 -60.14 -34.18 73.18 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.282 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 127' ' ' GLU . . . . . 0.448 ' CD ' ' SD ' ' A' ' 144' ' ' MET . 64.9 mt-10 -96.34 -2.85 44.93 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.911 179.699 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -86.22 -78.1 0.29 Allowed 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 111.946 0.35 . . . . 0.0 111.946 -179.076 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 129' ' ' ASP . . . . . 0.505 ' CG ' ' N ' ' A' ' 130' ' ' ILE . 63.9 t0 176.05 -113.6 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.472 0 O-C-N 123.644 0.59 . . . . 0.0 111.062 -179.645 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 130' ' ' ILE . . . . . 0.732 HG22 ' N ' ' A' ' 131' ' ' ASP . 67.6 mt 64.89 -121.01 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.455 -0.182 0 CA-C-N 115.048 -0.978 . . . . 0.0 111.257 -179.432 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 131' ' ' ASP . . . . . 0.732 ' N ' HG22 ' A' ' 130' ' ' ILE . 47.0 m-20 66.97 -31.8 0.17 Allowed 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.168 -178.288 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 132' ' ' GLY . . . . . 0.605 ' H ' ' C ' ' A' ' 130' ' ' ILE . . . 169.42 -0.44 0.04 OUTLIER Glycine 0 CA--C 1.526 0.734 0 N-CA-C 110.83 -0.908 . . . . 0.0 110.83 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -84.54 -41.55 16.37 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.856 0.36 . . . . 0.0 110.97 179.809 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 85.3 -6.82 78.41 Favored Glycine 0 CA--C 1.526 0.746 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 8.6 mm100 -117.3 166.74 11.93 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-O 120.642 0.258 . . . . 0.0 110.381 -179.8 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 136' ' ' VAL . . . . . 0.567 HG23 ' HB2' ' A' ' 102' ' ' ALA . 25.6 t -134.95 132.01 53.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.35 179.808 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 137' ' ' ASN . . . . . 0.444 ' OD1' ' O ' ' A' ' 137' ' ' ASN . 36.0 p-10 -95.89 110.62 22.78 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.742 -0.383 . . . . 0.0 110.106 179.191 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 36.4 p90 -61.83 -10.12 8.36 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 112.065 0.395 . . . . 0.0 112.065 -178.748 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -59.43 -49.24 78.55 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 119.986 -0.686 . . . . 0.0 110.61 -179.043 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -60.48 -41.33 93.99 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.673 0.273 . . . . 0.0 110.983 -179.324 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -60.79 -45.43 94.43 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 120.58 -0.448 . . . . 0.0 110.149 179.512 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 142' ' ' VAL . . . . . 0.466 ' O ' ' OG1' ' A' ' 146' ' ' THR . 52.9 t -64.59 -40.85 90.48 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.691 179.341 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 11.2 tp-100 -58.1 -43.63 87.24 Favored 'General case' 0 N--CA 1.455 -0.189 0 C-N-CA 120.233 -0.587 . . . . 0.0 109.447 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 144' ' ' MET . . . . . 0.448 ' SD ' ' CD ' ' A' ' 127' ' ' GLU . 73.4 mtm -59.8 -40.15 87.38 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 179.535 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 67.7 mtt -72.7 -18.25 61.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.868 -0.606 . . . . 0.0 111.974 -179.678 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 146' ' ' THR . . . . . 0.466 ' OG1' ' O ' ' A' ' 142' ' ' VAL . 0.0 OUTLIER -97.35 23.9 7.07 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.873 0.368 . . . . 0.0 110.564 179.734 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -133.0 -107.28 0.24 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.299 179.599 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 41.5 mmtm . . . . . 0 C--O 1.22 -0.489 0 CA-C-O 117.999 -1.001 . . . . 0.0 110.497 179.885 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 30' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 . . . . . 0 N--CA 1.49 1.537 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 53.6 t0 55.01 47.64 21.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.151 179.701 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 1.5 pt -130.47 163.6 35.72 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.163 0 N-CA-C 109.994 -0.373 . . . . 0.0 109.994 179.746 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 66.5 m-20 -90.53 79.47 6.17 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 120.784 -0.366 . . . . 0.0 110.217 179.49 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 34' ' ' MET . . . . . . . . . . . . . 57.7 mtt -62.03 -38.25 87.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.514 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -60.94 -38.68 86.68 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.772 -179.627 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -59.93 123.19 70.87 Favored Pre-proline 0 CA--C 1.54 0.589 0 C-N-CA 120.655 -0.418 . . . . 0.0 110.375 -179.613 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_exo -51.86 -30.74 39.82 Favored 'Trans proline' 0 N--CA 1.5 1.883 0 C-N-CA 121.84 1.693 . . . . 0.0 112.709 179.138 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -60.7 -40.09 90.94 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.154 -178.819 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 98.1 m -61.93 -46.34 89.75 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.443 -0.503 . . . . 0.0 110.525 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -63.54 -41.72 98.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.254 179.767 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 34.6 mmt180 -65.42 -38.73 90.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.315 179.666 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -60.76 -40.68 93.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.25 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -61.73 -39.93 93.28 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.177 179.701 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 66.4 t -61.74 -45.61 98.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.6 -179.35 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -61.03 -46.6 90.06 Favored 'General case' 0 C--N 1.332 -0.193 0 C-N-CA 120.776 -0.37 . . . . 0.0 111.367 -178.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 90.4 mt -64.18 -46.19 94.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 121.012 0.434 . . . . 0.0 110.543 179.685 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 47' ' ' GLN . . . . . 0.523 ' NE2' ' O ' ' A' ' 113' ' ' GLY . 94.4 mt-30 -64.76 -41.14 96.12 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.055 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 75.8 m -62.47 -42.43 99.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.981 0.42 . . . . 0.0 110.356 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -68.29 -37.64 80.87 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.938 -0.573 . . . . 0.0 110.987 179.622 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 50' ' ' PHE . . . . . 0.596 ' CD1' ' SD ' ' A' ' 124' ' ' MET . 37.2 t80 -59.79 -48.09 83.08 Favored 'General case' 0 C--N 1.331 -0.205 0 C-N-CA 120.948 -0.301 . . . . 0.0 111.146 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 91.8 mtm180 -61.67 -40.89 96.54 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.493 -0.483 . . . . 0.0 110.495 -179.78 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -62.9 -38.87 92.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.048 0.451 . . . . 0.0 110.202 179.303 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 53' ' ' PHE . . . . . . . . . . . . . 85.3 t80 -59.25 -47.41 85.44 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.436 -179.724 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -62.58 -40.72 97.77 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.522 -179.659 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -62.67 -39.47 94.05 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.732 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 25.6 mmtp -61.94 -39.82 93.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.46 -179.82 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 21.3 tptm -61.33 -42.53 98.84 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 179.834 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.91 -29.89 70.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.718 179.737 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . -58.97 151.23 34.67 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 111.067 -0.813 . . . . 0.0 111.067 -179.425 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 83.0 p -70.01 160.22 32.36 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.917 0.389 . . . . 0.0 110.897 -179.418 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 24.4 pt20 -153.06 29.61 0.5 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.568 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 60.5 p . . . . . 0 C--O 1.22 -0.5 0 CA-C-O 117.97 -1.014 . . . . 0.0 110.593 -179.939 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 12.9 mmt . . . . . 0 N--CA 1.49 1.541 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 64.2 mttp 54.92 38.29 30.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.552 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.5 ' O ' ' N ' ' A' ' 80' ' ' ASP . 68.3 t0 -156.5 67.1 0.56 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.297 179.723 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.474 ' C ' ' O ' ' A' ' 78' ' ' ASP . 19.6 p 25.31 -88.87 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.441 0 O-C-N 123.941 0.776 . . . . 0.0 111.361 179.824 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.5 ' N ' ' O ' ' A' ' 78' ' ' ASP . 45.8 p-10 -120.93 104.49 9.87 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.5 179.606 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 85.6 p -80.73 -7.71 59.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.848 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.428 ' HG3' HG21 ' A' ' 146' ' ' THR . 61.1 mp0 -56.44 -36.55 69.14 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.23 -0.656 . . . . 0.0 109.23 -179.212 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 21.5 pt-20 -66.17 -32.75 74.38 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.825 179.474 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -61.36 -46.24 91.05 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-O 120.922 0.391 . . . . 0.0 111.074 -178.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 4.2 mm -70.2 -33.14 53.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 116.168 -0.469 . . . . 0.0 109.912 178.905 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 42.5 ttm180 -61.41 -38.81 88.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.803 179.497 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -58.67 -38.81 78.99 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.168 -179.564 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.451 ' HB1' ' HB1' ' B' ' 42' ' ' ALA . . . -60.44 -33.44 72.54 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.609 179.336 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 54.2 m-85 -74.94 -40.23 60.91 Favored 'General case' 0 CA--C 1.528 0.124 0 C-N-CA 120.526 -0.47 . . . . 0.0 110.103 177.886 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -44.59 -29.33 0.72 Allowed 'General case' 0 CA--C 1.52 -0.195 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.217 -179.627 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 55.8 t -60.4 -39.79 82.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.508 179.514 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 18.1 m-85 -89.02 -27.15 21.04 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.795 -0.362 . . . . 0.0 110.861 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 64.8 t0 -88.04 72.27 9.23 Favored 'General case' 0 C--N 1.332 -0.159 0 N-CA-C 109.557 -0.535 . . . . 0.0 109.557 178.914 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.538 ' HZ2' ' HB3' ' B' ' 31' ' ' ASP . 65.3 pttt -68.77 -19.9 64.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.958 -179.34 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -83.8 -25.39 30.45 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.716 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 68.46 32.47 75.34 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.288 -1.125 . . . . 0.0 110.288 -179.531 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 57.8 t30 -94.38 -3.91 49.44 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.691 0.282 . . . . 0.0 110.824 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 94.26 5.72 61.91 Favored Glycine 0 CA--C 1.528 0.878 0 N-CA-C 111.422 -0.671 . . . . 0.0 111.422 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.455 ' CD1' ' N ' ' A' ' 99' ' ' TYR . 21.8 m-85 -136.24 158.59 44.06 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.766 0.317 . . . . 0.0 110.902 -179.871 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.411 HD13 HG21 ' A' ' 100' ' ' ILE . 0.2 OUTLIER -131.23 149.59 33.49 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.165 0 N-CA-C 107.434 -1.321 . . . . 0.0 107.434 177.481 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 68.8 m -60.43 134.03 56.67 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 119.911 -0.715 . . . . 0.0 110.412 -179.061 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.639 ' HB2' HG23 ' A' ' 136' ' ' VAL . . . -65.75 -38.0 87.91 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.491 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -60.5 -42.01 95.46 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 112.521 0.563 . . . . 0.0 112.521 -178.115 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.717 ' O ' HG23 ' A' ' 108' ' ' VAL . 6.4 pt-20 -69.26 -29.08 66.9 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.447 -0.501 . . . . 0.0 110.569 -178.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 2.5 tt -61.05 -47.89 84.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 109.853 179.742 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.74 -49.96 73.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.139 -179.296 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 107' ' ' HIS . . . . . 0.496 ' O ' ' N ' ' A' ' 111' ' ' ASN . 86.5 t60 -61.57 -44.28 97.31 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.264 0.554 . . . . 0.0 110.229 179.515 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.717 HG23 ' O ' ' A' ' 104' ' ' GLU . 64.4 t -61.39 -39.84 84.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.35 -0.841 . . . . 0.0 110.2 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 109' ' ' MET . . . . . 0.47 ' N ' ' SD ' ' A' ' 109' ' ' MET . 0.0 OUTLIER -74.52 -25.07 59.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.857 -179.702 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 73.3 p -105.48 -17.21 14.5 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 112.294 0.479 . . . . 0.0 112.294 -178.468 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' ASN . . . . . 0.496 ' N ' ' O ' ' A' ' 107' ' ' HIS . 63.5 t30 -113.03 -50.39 2.88 Favored 'General case' 0 N--CA 1.469 0.495 0 N-CA-C 112.981 0.734 . . . . 0.0 112.981 -178.375 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.543 HD12 HG22 ' A' ' 108' ' ' VAL . 83.3 mt -86.83 155.28 20.35 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.777 0.322 . . . . 0.0 111.404 -178.394 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 62.24 -111.02 3.62 Favored Glycine 0 CA--C 1.521 0.438 0 C-N-CA 121.035 -0.602 . . . . 0.0 111.605 178.848 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' GLU . . . . . 0.542 ' CB ' HH22 ' B' ' 51' ' ' ARG . 79.5 mm-40 -99.41 166.54 11.13 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.419 -0.585 . . . . 0.0 109.419 178.918 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 46.1 mtpt -109.41 104.98 14.16 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.049 0.452 . . . . 0.0 109.782 178.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.557 HD12 ' HB3' ' A' ' 120' ' ' GLU . 4.3 mm? -86.3 151.36 23.66 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 108.677 -0.861 . . . . 0.0 108.677 179.187 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 117' ' ' THR . . . . . 0.442 ' OG1' ' OE1' ' A' ' 120' ' ' GLU . 69.1 p -87.78 169.93 11.65 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 120.661 -0.415 . . . . 0.0 109.979 179.39 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 118' ' ' ASP . . . . . 0.536 ' OD1' ' N ' ' A' ' 119' ' ' GLU . 40.7 p-10 -56.76 -40.95 76.76 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 120.674 -0.41 . . . . 0.0 110.537 -179.746 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 119' ' ' GLU . . . . . 0.536 ' N ' ' OD1' ' A' ' 118' ' ' ASP . 98.7 mt-10 -62.59 -41.26 98.85 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.622 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 120' ' ' GLU . . . . . 0.557 ' HB3' HD12 ' A' ' 116' ' ' LEU . 0.5 OUTLIER -71.42 -41.43 69.53 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.919 0.39 . . . . 0.0 110.946 178.649 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 53.3 t -63.74 -42.33 95.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.12 179.766 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -60.55 -40.19 90.71 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.6 -0.44 . . . . 0.0 109.844 179.754 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -62.04 -40.77 96.86 Favored 'General case' 0 CA--C 1.518 -0.264 0 CA-C-O 121.441 0.638 . . . . 0.0 109.629 178.464 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 124' ' ' MET . . . . . 0.603 ' SD ' ' CG ' ' B' ' 50' ' ' PHE . 46.0 mmm -64.67 -41.6 95.97 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 114.899 -1.046 . . . . 0.0 110.147 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 1.2 mp -65.33 -37.68 80.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.762 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 42.8 ttm180 -60.12 -33.15 71.73 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.076 0.465 . . . . 0.0 110.045 179.315 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 57.8 mt-10 -95.67 -11.36 27.26 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.969 179.419 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.444 ' O ' ' CB ' ' A' ' 129' ' ' ASP . . . -78.18 -67.69 0.71 Allowed 'General case' 0 N--CA 1.463 0.222 0 C-N-CA 120.881 -0.328 . . . . 0.0 111.364 -179.384 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 129' ' ' ASP . . . . . 0.522 ' OD2' ' ND2' ' A' ' 137' ' ' ASN . 1.2 m-20 163.78 -90.41 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.466 0 CA-C-O 121.12 0.486 . . . . 0.0 112.005 179.861 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 130' ' ' ILE . . . . . 0.729 HG22 ' N ' ' A' ' 131' ' ' ASP . 61.0 mt 38.18 -124.86 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.737 -177.651 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 131' ' ' ASP . . . . . 0.729 ' N ' HG22 ' A' ' 130' ' ' ILE . 5.2 t70 73.6 -29.14 0.2 Allowed 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.193 -0.669 . . . . 0.0 109.193 -178.356 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 132' ' ' GLY . . . . . 0.599 ' H ' ' C ' ' A' ' 130' ' ' ILE . . . 161.23 -6.88 0.1 OUTLIER Glycine 0 CA--C 1.527 0.782 0 N-CA-C 110.108 -1.197 . . . . 0.0 110.108 -179.871 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -71.21 -42.34 69.07 Favored 'General case' 0 C--O 1.232 0.132 0 CA-C-O 121.131 0.491 . . . . 0.0 110.396 178.903 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 86.25 -12.54 60.21 Favored Glycine 0 CA--C 1.53 0.992 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.605 179.429 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -121.14 168.61 11.38 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 120.877 0.37 . . . . 0.0 110.863 -179.405 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 136' ' ' VAL . . . . . 0.639 HG23 ' HB2' ' A' ' 102' ' ' ALA . 44.9 t -134.3 133.31 55.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.668 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 137' ' ' ASN . . . . . 0.522 ' ND2' ' OD2' ' A' ' 129' ' ' ASP . 0.0 OUTLIER -94.48 106.53 18.51 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 178.598 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 38.9 p90 -62.17 -14.05 33.6 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.715 -0.394 . . . . 0.0 111.401 -179.13 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -58.8 -49.94 75.82 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.196 -0.602 . . . . 0.0 110.426 -179.287 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 53.0 tp10 -61.04 -42.55 98.69 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.923 -0.311 . . . . 0.0 110.417 -179.497 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -59.48 -48.4 81.78 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.532 -0.467 . . . . 0.0 109.759 179.115 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 142' ' ' VAL . . . . . 0.599 ' O ' HG23 ' A' ' 146' ' ' THR . 75.2 t -63.03 -43.17 98.88 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 C-N-CA 120.73 -0.388 . . . . 0.0 110.274 179.763 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 10.9 tp-100 -60.98 -41.53 96.62 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 108.658 -0.867 . . . . 0.0 108.658 178.673 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 2.0 ttp -65.94 -49.49 67.74 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 115.133 -0.939 . . . . 0.0 110.509 178.871 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 66.2 mtt -64.46 -35.84 82.23 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 112.942 0.719 . . . . 0.0 112.942 -179.295 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 146' ' ' THR . . . . . 0.599 HG23 ' O ' ' A' ' 142' ' ' VAL . 44.5 p -68.04 -36.2 79.52 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 120.203 -0.599 . . . . 0.0 111.6 -178.697 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -55.97 82.22 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.983 0.421 . . . . 0.0 110.572 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 148' ' ' LYS . . . . . 0.547 ' N ' ' O ' ' A' ' 146' ' ' THR . 0.9 OUTLIER . . . . . 0 C--O 1.22 -0.473 0 CA-C-O 118.013 -0.994 . . . . 0.0 110.554 -179.729 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 30' ' ' PHE . . . . . . . . . . . . . 29.7 m-85 . . . . . 0 N--CA 1.49 1.562 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 31' ' ' ASP . . . . . 0.538 ' HB3' ' HZ2' ' A' ' 94' ' ' LYS . 96.8 m-20 56.99 36.5 27.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.187 0.518 . . . . 0.0 109.877 -179.22 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 77.4 mt -122.28 131.85 72.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.324 -0.853 . . . . 0.0 110.649 179.548 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 66.8 t0 -82.44 105.23 13.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.371 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 34' ' ' MET . . . . . . . . . . . . . 61.5 mtt -87.68 -8.79 55.69 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.08 -179.525 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 97.3 m-20 -74.87 -11.07 60.05 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.569 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -94.03 112.11 55.86 Favored Pre-proline 0 CA--C 1.539 0.554 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.901 -179.689 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 67.4 Cg_exo -52.4 -23.9 20.05 Favored 'Trans proline' 0 N--CA 1.497 1.719 0 C-N-CA 121.928 1.752 . . . . 0.0 111.976 178.866 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 60.9 mp0 -60.1 -37.98 81.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.353 -179.57 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 94.5 m -60.41 -41.17 93.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.101 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 66.4 mm-40 -60.66 -42.12 96.39 Favored 'General case' 0 C--N 1.331 -0.199 0 C-N-CA 120.866 -0.333 . . . . 0.0 110.416 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 33.4 mmt180 -64.12 -40.89 97.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.968 0.413 . . . . 0.0 110.171 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 42' ' ' ALA . . . . . 0.451 ' HB1' ' HB1' ' A' ' 88' ' ' ALA . . . -65.97 -43.66 87.22 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 120.358 -0.537 . . . . 0.0 110.242 179.33 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.91 -40.71 87.75 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.537 -0.756 . . . . 0.0 112.369 -179.516 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -66.96 -37.6 79.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 C-N-CA 120.668 -0.413 . . . . 0.0 111.05 -178.232 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -63.57 -43.12 97.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.748 0.308 . . . . 0.0 111.151 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 96.7 mt -62.49 -46.52 96.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 121.238 0.542 . . . . 0.0 110.153 -179.716 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 47' ' ' GLN . . . . . 0.504 ' NE2' ' O ' ' A' ' 114' ' ' GLU . 81.2 mt-30 -63.35 -39.87 95.72 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.371 -0.832 . . . . 0.0 111.36 -179.753 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 94.2 p -63.46 -38.76 92.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.785 0.326 . . . . 0.0 110.755 -179.846 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 96.0 mm-40 -65.92 -38.47 88.77 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.456 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 50' ' ' PHE . . . . . 0.603 ' CG ' ' SD ' ' A' ' 124' ' ' MET . 30.9 t80 -58.56 -48.45 80.87 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 120.529 -0.468 . . . . 0.0 110.597 -179.356 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 51' ' ' ARG . . . . . 0.542 HH22 ' CB ' ' A' ' 114' ' ' GLU . 79.7 mtt85 -61.65 -40.19 94.03 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.797 -0.361 . . . . 0.0 110.62 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -64.26 -40.92 96.97 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.678 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 53' ' ' PHE . . . . . . . . . . . . . 73.3 t80 -60.03 -46.59 89.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.089 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 30.1 mm100 -62.0 -39.93 93.91 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.415 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 65.0 tttp -60.5 -44.41 96.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.364 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 27.1 tptp -60.87 -43.84 97.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.127 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 57' ' ' LYS . . . . . 0.435 ' O ' ' O ' ' B' ' 60' ' ' SER . 38.8 ttpt -60.59 -44.03 96.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.602 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.21 -39.06 88.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.568 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . -69.6 -10.18 63.23 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 111.352 -0.699 . . . . 0.0 111.352 -179.655 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 60' ' ' SER . . . . . 0.435 ' O ' ' O ' ' B' ' 57' ' ' LYS . 92.0 p -127.15 158.42 37.11 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.945 0.402 . . . . 0.0 110.724 -179.695 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 64.0 tt0 57.39 73.55 0.46 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.528 -179.803 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.219 -0.534 0 CA-C-O 118.023 -0.989 . . . . 0.0 110.562 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 9.2 tpt . . . . . 0 N--CA 1.49 1.574 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 98.2 mttt 54.33 38.96 30.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.375 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 59.5 p30 -103.36 12.84 34.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.694 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.3 m 72.91 77.13 0.14 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.034 0.445 . . . . 0.0 110.191 -179.484 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -112.24 140.91 46.55 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.996 -179.783 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 85.2 p -80.77 -6.68 58.84 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.34 179.46 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -54.32 -39.49 67.09 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.124 -0.489 . . . . 0.0 109.781 -179.424 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 23.3 pt-20 -63.89 -36.16 83.03 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.588 179.442 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -62.41 -47.01 85.99 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.748 -179.44 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 4.9 mm -66.53 -39.08 83.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 121.242 0.544 . . . . 0.0 109.718 179.34 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 42.2 ttm180 -58.19 -39.32 78.64 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.17 -0.923 . . . . 0.0 110.922 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -57.73 -40.1 78.82 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 -179.785 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.55 -38.86 89.02 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.142 179.6 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 54.4 m-85 -73.95 -42.45 60.5 Favored 'General case' 0 C--N 1.332 -0.161 0 C-N-CA 120.576 -0.45 . . . . 0.0 110.693 178.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 93.9 mtt-85 -49.24 -24.57 1.83 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.595 -178.636 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 56.3 t -62.53 -39.74 85.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.573 178.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 37.6 m-85 -82.12 -18.68 42.08 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 120.881 -0.328 . . . . 0.0 110.694 -179.782 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.448 ' OD1' ' OD1' ' A' ' 95' ' ' ASP . 64.6 t0 -96.49 97.09 9.14 Favored 'General case' 0 CA--C 1.53 0.211 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 179.379 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 64.8 pttt -79.26 -20.82 47.17 Favored 'General case' 0 N--CA 1.463 0.18 0 N-CA-C 113.574 0.953 . . . . 0.0 113.574 -178.407 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' ASP . . . . . 0.448 ' OD1' ' OD1' ' A' ' 93' ' ' ASP . 54.5 p30 -104.91 5.72 33.1 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.199 0.524 . . . . 0.0 110.322 179.67 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 43.84 43.03 6.59 Favored Glycine 0 CA--C 1.526 0.777 0 N-CA-C 109.923 -1.271 . . . . 0.0 109.923 179.411 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 63.2 t30 -90.12 -1.86 58.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.87 0.367 . . . . 0.0 110.835 -179.444 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 94.26 5.44 62.1 Favored Glycine 0 CA--C 1.525 0.712 0 C-N-CA 120.97 -0.633 . . . . 0.0 111.676 179.755 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.466 ' CD1' ' N ' ' A' ' 99' ' ' TYR . 14.0 m-85 -137.37 158.25 44.82 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-N 117.036 0.418 . . . . 0.0 110.577 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.409 HG21 HD13 ' A' ' 100' ' ' ILE . 0.4 OUTLIER -131.88 152.93 37.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 N-CA-C 107.688 -1.227 . . . . 0.0 107.688 177.908 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 42.2 t -63.61 127.05 29.62 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 119.759 -0.776 . . . . 0.0 110.298 -179.589 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.504 ' HB2' HG23 ' A' ' 136' ' ' VAL . . . -61.28 -35.58 77.69 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.03 -179.614 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -58.68 -49.86 76.01 Favored 'General case' 0 CA--C 1.533 0.291 0 N-CA-C 112.115 0.413 . . . . 0.0 112.115 -178.125 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.569 ' O ' HG23 ' A' ' 108' ' ' VAL . 5.6 pt-20 -61.59 -27.65 68.79 Favored 'General case' 0 C--N 1.332 -0.159 0 C-N-CA 120.204 -0.599 . . . . 0.0 110.741 -178.723 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 14.2 tp -60.96 -51.19 70.29 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.198 -0.667 . . . . 0.0 109.198 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.567 ' HD3' HG11 ' A' ' 121' ' ' VAL . 15.1 tpt180 -55.1 -51.81 65.23 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.826 -179.734 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 107' ' ' HIS . . . . . 0.401 ' O ' ' CB ' ' A' ' 111' ' ' ASN . 73.4 t60 -62.6 -48.68 78.37 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.9 0.381 . . . . 0.0 111.798 179.419 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.569 HG23 ' O ' ' A' ' 104' ' ' GLU . 59.1 t -61.64 -43.22 96.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.807 -0.633 . . . . 0.0 112.63 -178.412 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.62 -30.12 70.32 Favored 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 120.933 -0.307 . . . . 0.0 111.709 -179.279 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.608 ' CG2' HG21 ' A' ' 121' ' ' VAL . 49.4 p -104.51 -6.73 20.33 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 120.65 -0.42 . . . . 0.0 112.022 -178.552 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 111' ' ' ASN . . . . . 0.401 ' CB ' ' O ' ' A' ' 107' ' ' HIS . 28.6 t-20 -107.72 -45.57 3.99 Favored 'General case' 0 N--CA 1.464 0.262 0 C-N-CA 120.782 -0.367 . . . . 0.0 111.486 -179.667 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 68.1 mt -105.91 -178.77 3.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.47 0.652 . . . . 0.0 111.622 -178.836 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 63.6 -124.41 31.15 Favored Glycine 0 CA--C 1.526 0.748 0 CA-C-N 114.854 -1.066 . . . . 0.0 112.83 178.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' GLU . . . . . 0.496 ' N ' ' OE1' ' B' ' 47' ' ' GLN . 99.5 mt-10 -98.71 17.91 18.15 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.499 -0.351 . . . . 0.0 111.523 -178.674 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.473 ' O ' ' O ' ' A' ' 114' ' ' GLU . 50.9 mttp 44.69 104.21 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.949 -0.568 . . . . 0.0 111.348 179.207 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.633 HD12 ' HB3' ' A' ' 120' ' ' GLU . 4.5 mm? -96.59 155.78 16.62 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.07 -0.513 . . . . 0.0 109.99 179.145 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 117' ' ' THR . . . . . 0.435 ' OG1' ' OE1' ' A' ' 120' ' ' GLU . 70.2 p -93.03 170.62 9.51 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 178.764 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -59.22 -39.89 84.11 Favored 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 120.736 -0.386 . . . . 0.0 110.974 -179.181 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 75.6 mm-40 -62.22 -43.53 98.63 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 120.499 -0.48 . . . . 0.0 110.892 -179.733 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 120' ' ' GLU . . . . . 0.633 ' HB3' HD12 ' A' ' 116' ' ' LEU . 1.0 OUTLIER -68.31 -42.08 79.91 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.806 0.336 . . . . 0.0 111.002 179.278 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.608 HG21 ' CG2' ' A' ' 110' ' ' THR . 70.6 t -63.87 -45.79 96.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.456 . . . . 0.0 109.971 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -54.59 -38.14 66.36 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 120.175 -0.61 . . . . 0.0 109.881 -178.263 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 75.4 mm-40 -61.91 -38.76 89.6 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.195 -0.669 . . . . 0.0 109.195 178.363 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 124' ' ' MET . . . . . 0.611 ' SD ' ' CD1' ' B' ' 50' ' ' PHE . 26.1 mmm -69.39 -40.34 77.45 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.352 -0.84 . . . . 0.0 111.097 179.86 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 125' ' ' ILE . . . . . 0.606 HD13 HG12 ' A' ' 121' ' ' VAL . 1.3 mp -61.7 -42.13 93.13 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.246 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.034 -179.345 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 44.1 ttm180 -60.9 -31.58 71.08 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.045 0.45 . . . . 0.0 110.064 179.638 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -96.7 1.84 51.43 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.768 179.306 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -92.38 -83.94 0.29 Allowed 'General case' 0 CA--C 1.532 0.274 0 N-CA-C 112.037 0.384 . . . . 0.0 112.037 -178.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 129' ' ' ASP . . . . . 0.463 ' CG ' ' N ' ' A' ' 130' ' ' ILE . 29.0 t70 -179.74 -104.52 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.418 0 CA-C-O 121.299 0.571 . . . . 0.0 111.589 -179.461 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 130' ' ' ILE . . . . . 0.659 ' O ' HG22 ' A' ' 130' ' ' ILE . 73.4 mt 60.08 53.47 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.239 0 CA-C-N 115.184 -0.916 . . . . 0.0 111.022 -179.247 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 67.4 t0 -60.37 -42.31 95.55 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.854 -0.795 . . . . 0.0 108.854 178.894 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -174.06 -46.6 0.05 OUTLIER Glycine 0 CA--C 1.524 0.653 0 CA-C-N 115.412 -0.813 . . . . 0.0 111.085 179.548 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -62.05 -39.68 93.2 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 112.161 0.43 . . . . 0.0 112.161 -178.903 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 104.39 34.87 3.5 Favored Glycine 0 CA--C 1.529 0.921 0 C-N-CA 120.648 -0.787 . . . . 0.0 112.141 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -116.96 157.27 26.03 Favored 'General case' 0 N--CA 1.465 0.323 0 N-CA-C 109.876 -0.416 . . . . 0.0 109.876 178.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 136' ' ' VAL . . . . . 0.504 HG23 ' HB2' ' A' ' 102' ' ' ALA . 25.7 t -131.88 130.95 61.86 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.142 0 CA-C-O 120.87 0.367 . . . . 0.0 111.852 -179.695 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 137' ' ' ASN . . . . . 0.498 ' O ' ' ND2' ' A' ' 137' ' ' ASN . 0.4 OUTLIER -86.28 107.59 18.02 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.387 -0.597 . . . . 0.0 109.387 178.625 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 41.1 p90 -64.89 -10.14 26.42 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 120.523 -0.471 . . . . 0.0 112.174 -178.42 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -60.14 -49.56 77.15 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 119.929 -0.708 . . . . 0.0 110.855 -179.304 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 52.6 tp10 -61.69 -43.25 99.22 Favored 'General case' 0 N--CA 1.464 0.244 0 C-N-CA 121.092 -0.243 . . . . 0.0 111.075 -179.129 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -59.05 -45.02 91.82 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 110.043 -0.354 . . . . 0.0 110.043 179.466 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 142' ' ' VAL . . . . . 0.417 ' O ' ' OG1' ' A' ' 146' ' ' THR . 53.9 t -64.79 -44.23 96.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.335 179.107 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 143' ' ' GLN . . . . . 0.511 ' O ' ' HB2' ' A' ' 147' ' ' ALA . 11.0 tp-100 -61.87 -41.37 97.78 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 108.805 -0.813 . . . . 0.0 108.805 178.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 2.6 ttt -65.36 -49.71 68.33 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.083 -0.962 . . . . 0.0 109.983 178.55 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.25 -25.38 67.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.621 -0.263 . . . . 0.0 110.936 179.834 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 146' ' ' THR . . . . . 0.417 ' OG1' ' O ' ' A' ' 142' ' ' VAL . 1.3 m -104.94 18.51 22.23 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 121.025 -0.27 . . . . 0.0 110.658 -179.707 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 147' ' ' ALA . . . . . 0.511 ' HB2' ' O ' ' A' ' 143' ' ' GLN . . . -109.73 70.5 0.73 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.27 179.585 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 7.7 mmtt . . . . . 0 C--O 1.22 -0.47 0 CA-C-O 118.033 -0.984 . . . . 0.0 110.438 -179.876 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 30' ' ' PHE . . . . . 0.601 ' N ' ' CD1' ' B' ' 30' ' ' PHE . 0.1 OUTLIER . . . . . 0 N--CA 1.49 1.542 0 N-CA-C 109.087 -0.708 . . . . 0.0 109.087 . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 59.5 p30 -101.94 17.53 22.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.086 -179.574 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -90.43 167.51 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.968 0.413 . . . . 0.0 110.908 -179.31 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -87.74 84.69 7.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.409 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 34' ' ' MET . . . . . . . . . . . . . 54.6 mtt -63.52 -36.88 85.22 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.017 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 66.9 t0 -60.29 -40.02 88.98 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.946 -178.777 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.5 137.37 92.41 Favored Pre-proline 0 CA--C 1.536 0.428 0 C-N-CA 120.523 -0.471 . . . . 0.0 109.776 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -69.0 -22.0 36.23 Favored 'Trans proline' 0 N--CA 1.494 1.517 0 C-N-CA 122.168 1.912 . . . . 0.0 112.872 -179.153 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -62.5 -41.61 98.94 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.04 -179.511 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 91.8 m -64.81 -45.21 87.18 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.727 -0.389 . . . . 0.0 110.623 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -63.55 -40.95 98.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.443 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 18.0 mmm180 -63.94 -40.46 96.5 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.275 179.765 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -62.31 -39.99 94.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.428 179.733 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -61.31 -39.82 91.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.456 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 55.4 t -61.62 -45.93 97.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.479 -179.616 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -61.07 -46.58 90.11 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.744 -0.382 . . . . 0.0 111.164 -179.095 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 93.6 mt -65.2 -47.21 88.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 C-N-CA 120.675 -0.41 . . . . 0.0 110.911 179.785 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 47' ' ' GLN . . . . . 0.496 ' OE1' ' N ' ' A' ' 114' ' ' GLU . 77.5 mt-30 -65.78 -40.58 92.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.312 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 48.3 t -62.12 -45.54 93.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.997 0.427 . . . . 0.0 110.677 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 96.9 mm-40 -64.86 -38.29 90.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.184 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 50' ' ' PHE . . . . . 0.611 ' CD1' ' SD ' ' A' ' 124' ' ' MET . 37.2 t80 -58.5 -48.28 81.33 Favored 'General case' 0 C--N 1.332 -0.188 0 C-N-CA 120.599 -0.44 . . . . 0.0 110.464 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -62.26 -39.71 93.81 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.067 0.46 . . . . 0.0 109.774 179.353 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 39.4 ttmt -65.76 -38.06 88.04 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.837 179.393 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 53' ' ' PHE . . . . . . . . . . . . . 67.9 t80 -57.52 -49.37 76.54 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.998 -178.328 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 12.3 pt20 -68.42 -34.77 76.59 Favored 'General case' 0 C--N 1.332 -0.185 0 C-N-CA 120.205 -0.598 . . . . 0.0 111.064 -179.577 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 62.3 mttp -64.41 -39.42 93.82 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.788 -0.365 . . . . 0.0 110.576 179.016 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 25.4 mmtp -61.54 -43.48 98.78 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 120.658 -0.417 . . . . 0.0 110.053 -179.739 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 19.6 ttmm -64.27 -45.31 88.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.982 0.42 . . . . 0.0 109.977 178.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . 36.38 60.81 0.86 Allowed 'General case' 0 C--O 1.231 0.131 0 CA-C-N 115.572 -0.74 . . . . 0.0 111.058 179.622 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . -60.59 -40.21 97.55 Favored Glycine 0 CA--C 1.526 0.732 0 N-CA-C 110.847 -0.901 . . . . 0.0 110.847 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 31.0 t -89.49 127.81 35.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.753 0.311 . . . . 0.0 110.482 179.799 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 53.9 tt0 -61.68 -41.17 97.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.359 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 6.5 t . . . . . 0 C--O 1.22 -0.491 0 CA-C-O 117.998 -1.001 . . . . 0.0 110.559 179.987 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 9.7 tpt . . . . . 0 N--CA 1.49 1.537 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.412 ' O ' ' N ' ' A' ' 79' ' ' THR . 23.3 pttp -60.77 -34.69 74.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.731 -179.839 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 48.7 m-20 63.46 -77.21 0.03 OUTLIER 'General case' 0 N--CA 1.462 0.167 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.345 -179.187 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.467 ' O ' ' C ' ' A' ' 80' ' ' ASP . 7.5 m 60.55 61.17 1.79 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.714 179.731 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.467 ' C ' ' O ' ' A' ' 79' ' ' THR . 1.2 p30 -23.51 92.84 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.429 0 O-C-N 124.017 0.823 . . . . 0.0 111.85 -179.419 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 66.2 m -81.15 -5.37 57.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.474 -0.785 . . . . 0.0 110.831 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.67 ' HG2' HG21 ' A' ' 146' ' ' THR . 98.0 mt-10 -55.87 -36.75 67.94 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 -179.012 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 23.2 pt-20 -67.77 -26.29 66.04 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.306 -0.861 . . . . 0.0 111.327 179.613 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -61.85 -46.2 90.48 Favored 'General case' 0 N--CA 1.463 0.223 0 C-N-CA 120.812 -0.355 . . . . 0.0 110.768 -178.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 2.1 mt -75.2 -26.02 18.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-O 121.152 0.501 . . . . 0.0 110.161 179.637 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 80.3 ttt180 -61.49 -43.01 99.63 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.398 -0.593 . . . . 0.0 109.398 178.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -59.92 -40.5 89.09 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.642 -0.708 . . . . 0.0 109.607 179.341 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.751 ' O ' HG12 ' A' ' 91' ' ' VAL . . . -60.96 -36.01 78.26 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.737 -0.665 . . . . 0.0 109.952 179.075 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.443 ' O ' ' OD1' ' A' ' 93' ' ' ASP . 33.2 m-85 -71.34 -42.69 68.22 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.503 -0.479 . . . . 0.0 110.264 178.575 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -44.08 -36.15 2.44 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.474 -178.903 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.751 HG12 ' O ' ' A' ' 88' ' ' ALA . 8.7 p -55.84 -30.82 28.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 C-N-CA 120.368 -0.533 . . . . 0.0 110.533 -179.448 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 40.2 m-85 -96.31 -29.89 13.73 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 179.764 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.564 ' N ' ' OD1' ' A' ' 93' ' ' ASP . 0.0 OUTLIER -86.59 62.69 7.56 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-O 121.437 0.637 . . . . 0.0 109.59 179.814 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 26.6 pttm -71.41 -20.7 62.09 Favored 'General case' 0 C--N 1.33 -0.271 0 O-C-N 121.919 -0.488 . . . . 0.0 111.532 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -75.08 -26.21 59.16 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.448 179.691 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 70.12 25.22 75.91 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.776 -0.93 . . . . 0.0 110.776 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 53.2 p-10 -92.3 -3.92 54.72 Favored 'General case' 0 C--N 1.331 -0.229 0 C-N-CA 120.903 -0.319 . . . . 0.0 110.962 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 95.04 -2.8 66.39 Favored Glycine 0 CA--C 1.531 1.04 0 C-N-CA 121.031 -0.604 . . . . 0.0 111.688 179.707 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.466 ' CD1' ' N ' ' A' ' 99' ' ' TYR . 10.9 m-85 -125.12 159.04 32.38 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 121.37 0.605 . . . . 0.0 111.823 -178.636 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.534 HG22 ' OD1' ' A' ' 93' ' ' ASP . 0.2 OUTLIER -129.51 143.22 41.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 N-CA-C 107.633 -1.247 . . . . 0.0 107.633 178.169 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 68.3 m -61.32 134.03 56.51 Favored 'General case' 0 C--N 1.323 -0.581 0 C-N-CA 119.484 -0.886 . . . . 0.0 109.933 -179.425 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.667 ' HB2' HG23 ' A' ' 136' ' ' VAL . . . -62.67 -38.65 91.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.952 0.406 . . . . 0.0 110.708 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -59.75 -40.78 89.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.754 -179.173 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -64.42 -39.86 94.66 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.677 -0.238 . . . . 0.0 110.866 179.431 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 51.0 tp -60.02 -47.12 87.16 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.652 -0.419 . . . . 0.0 110.17 -179.11 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.531 ' O ' HG23 ' A' ' 110' ' ' THR . 6.2 tmm_? -58.29 -49.35 77.46 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.632 -0.427 . . . . 0.0 110.92 -178.826 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 75.3 t60 -60.29 -47.43 86.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.077 0.465 . . . . 0.0 111.124 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.449 HG22 HD12 ' A' ' 112' ' ' LEU . 55.7 t -60.62 -36.05 67.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-N 115.523 -0.762 . . . . 0.0 111.468 -179.681 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 109' ' ' MET . . . . . 0.485 ' N ' ' SD ' ' A' ' 109' ' ' MET . 0.0 OUTLIER -81.29 -20.94 39.77 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 111.962 0.356 . . . . 0.0 111.962 -179.361 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.531 HG23 ' O ' ' A' ' 106' ' ' ARG . 55.5 p -103.85 -22.29 13.53 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 120.288 -0.565 . . . . 0.0 110.973 -179.246 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 29.5 t-20 -108.98 -47.93 3.36 Favored 'General case' 0 N--CA 1.464 0.27 0 N-CA-C 112.502 0.556 . . . . 0.0 112.502 -178.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.481 ' O ' ' O ' ' A' ' 113' ' ' GLY . 90.6 mt -94.69 143.35 26.51 Favored 'General case' 0 N--CA 1.465 0.323 0 N-CA-C 112.411 0.523 . . . . 0.0 112.411 -178.121 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 113' ' ' GLY . . . . . 0.546 ' O ' ' C ' ' A' ' 114' ' ' GLU . . . 54.24 124.56 0.01 OUTLIER Glycine 0 CA--C 1.524 0.622 0 CA-C-N 115.035 -0.984 . . . . 0.0 111.699 178.831 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 114' ' ' GLU . . . . . 0.546 ' C ' ' O ' ' A' ' 113' ' ' GLY . 45.8 mp0 14.28 86.16 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.673 0 O-C-N 123.985 0.462 . . . . 0.0 111.134 179.211 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -47.52 132.53 13.61 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.177 0.513 . . . . 0.0 111.626 -177.643 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.652 HD12 ' HB3' ' A' ' 120' ' ' GLU . 4.3 mm? -91.01 159.0 16.37 Favored 'General case' 0 C--O 1.231 0.117 0 N-CA-C 108.238 -1.023 . . . . 0.0 108.238 177.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 117' ' ' THR . . . . . 0.453 ' OG1' ' OE1' ' A' ' 120' ' ' GLU . 72.3 p -93.4 172.07 8.51 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 120.512 -0.475 . . . . 0.0 110.114 179.416 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -59.06 -41.72 88.62 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.029 -179.332 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -62.81 -42.32 99.67 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.943 -0.303 . . . . 0.0 110.904 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 120' ' ' GLU . . . . . 0.652 ' HB3' HD12 ' A' ' 116' ' ' LEU . 0.7 OUTLIER -67.71 -46.88 70.95 Favored 'General case' 0 C--N 1.332 -0.192 0 C-N-CA 120.722 -0.391 . . . . 0.0 110.764 179.137 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.617 HG12 HD13 ' A' ' 125' ' ' ILE . 68.0 t -63.58 -42.52 96.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.104 -179.701 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -56.03 -39.37 71.85 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.006 -0.678 . . . . 0.0 109.476 -179.006 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 53.3 tp10 -63.23 -38.1 89.86 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.238 -0.652 . . . . 0.0 109.238 178.169 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 124' ' ' MET . . . . . 0.423 ' CG ' ' CZ ' ' B' ' 50' ' ' PHE . 96.1 mtp -70.08 -39.53 75.53 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.75 179.821 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 125' ' ' ILE . . . . . 0.617 HD13 HG12 ' A' ' 121' ' ' VAL . 1.2 mp -59.47 -38.48 75.42 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.138 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.654 -179.585 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 83.8 mtp180 -67.83 -26.61 66.14 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.866 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 -96.14 -11.32 26.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.873 179.69 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.664 ' HB1' HG21 ' A' ' 136' ' ' VAL . . . -77.68 -66.96 0.77 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.65 -178.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 129' ' ' ASP . . . . . 0.483 ' CG ' ' O ' ' A' ' 128' ' ' ALA . 13.0 m-20 155.76 -99.32 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.862 0 O-C-N 123.428 0.455 . . . . 0.0 110.774 179.797 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 130' ' ' ILE . . . . . 0.699 HG22 ' N ' ' A' ' 131' ' ' ASP . 62.2 mt 61.17 -118.65 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.202 -179.208 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 131' ' ' ASP . . . . . 0.699 ' N ' HG22 ' A' ' 130' ' ' ILE . 11.0 t0 76.09 -26.28 0.19 Allowed 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.168 -178.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 132' ' ' GLY . . . . . 0.495 ' H ' ' C ' ' A' ' 130' ' ' ILE . . . 176.8 -66.63 0.09 OUTLIER Glycine 0 CA--C 1.524 0.63 0 N-CA-C 110.421 -1.072 . . . . 0.0 110.421 179.873 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -47.1 -36.94 8.88 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 121.149 -0.22 . . . . 0.0 110.849 -178.126 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 74.29 28.39 64.07 Favored Glycine 0 CA--C 1.523 0.56 0 C-N-CA 120.467 -0.873 . . . . 0.0 111.671 179.062 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 83.3 mm-40 -120.76 149.98 41.69 Favored 'General case' 0 CA--C 1.52 -0.193 0 N-CA-C 108.877 -0.786 . . . . 0.0 108.877 178.225 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 136' ' ' VAL . . . . . 0.667 HG23 ' HB2' ' A' ' 102' ' ' ALA . 43.0 t -127.98 134.77 64.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-O 121.13 0.491 . . . . 0.0 112.195 -178.917 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 137' ' ' ASN . . . . . 0.434 ' OD1' ' O ' ' A' ' 137' ' ' ASN . 35.3 p-10 -93.72 111.21 22.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.59 -0.732 . . . . 0.0 109.334 178.649 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 43.1 p90 -61.41 -10.97 8.53 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 120.495 -0.482 . . . . 0.0 112.032 -178.61 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -58.9 -50.19 74.97 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 119.794 -0.762 . . . . 0.0 110.123 -179.259 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 52.6 tp10 -60.4 -43.14 96.97 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 121.038 -0.265 . . . . 0.0 110.789 -179.371 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -60.66 -42.49 97.14 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 120.26 -0.576 . . . . 0.0 110.2 179.473 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 47.5 t -63.68 -40.84 90.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 C-N-CA 120.639 -0.424 . . . . 0.0 110.477 178.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 143' ' ' GLN . . . . . 0.414 ' O ' ' CB ' ' A' ' 147' ' ' ALA . 96.8 mt-30 -62.3 -40.27 95.74 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.47 -0.566 . . . . 0.0 109.47 179.215 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 71.2 mtp -59.71 -44.19 93.82 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 178.91 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 55.8 mtt -72.42 -18.61 61.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.356 -0.838 . . . . 0.0 111.864 -179.586 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 146' ' ' THR . . . . . 0.67 HG21 ' HG2' ' A' ' 82' ' ' GLU . 67.1 p -118.2 16.87 14.04 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-O 120.624 0.25 . . . . 0.0 111.033 -179.29 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 147' ' ' ALA . . . . . 0.414 ' CB ' ' O ' ' A' ' 143' ' ' GLN . . . -126.64 49.72 2.01 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.009 179.322 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.22 -0.474 0 CA-C-O 118.029 -0.986 . . . . 0.0 110.546 -179.764 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 30' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 . . . . . 0 N--CA 1.489 1.517 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 53.75 43.23 31.33 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.864 179.689 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 32' ' ' ILE . . . . . 0.415 HD13 HG21 ' B' ' 32' ' ' ILE . 4.2 pt -120.71 162.47 19.36 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.222 0 N-CA-C 109.798 -0.445 . . . . 0.0 109.798 179.814 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -81.86 80.88 8.04 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.511 -0.552 . . . . 0.0 109.511 179.11 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 34' ' ' MET . . . . . 0.458 ' HE2' HD11 ' A' ' 112' ' ' LEU . 85.0 mtp -68.15 -29.63 68.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.001 -179.115 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 55.1 p30 -76.41 -0.16 21.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.309 -179.016 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -89.05 116.91 67.6 Favored Pre-proline 0 CA--C 1.539 0.536 0 C-N-CA 120.785 -0.366 . . . . 0.0 110.202 179.565 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 82.6 Cg_exo -50.01 -28.67 19.54 Favored 'Trans proline' 0 N--CA 1.497 1.707 0 C-N-CA 121.723 1.615 . . . . 0.0 112.107 179.274 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -60.99 -39.87 91.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.667 -179.501 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 92.6 m -63.34 -42.15 98.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.822 0.344 . . . . 0.0 110.219 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 53.9 tp10 -60.64 -43.47 97.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 109.978 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 18.1 mmm180 -62.73 -40.69 97.98 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.781 -0.368 . . . . 0.0 110.072 179.729 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -62.45 -40.93 98.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.343 179.571 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -61.81 -41.92 98.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.467 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 44' ' ' VAL . . . . . 0.468 HG22 ' OE1' ' A' ' 114' ' ' GLU . 61.0 t -63.89 -45.25 97.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.817 -179.441 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -60.75 -43.67 97.66 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.919 -0.313 . . . . 0.0 111.44 -178.741 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 46' ' ' ILE . . . . . 0.439 HG21 ' CE ' ' A' ' 109' ' ' MET . 91.9 mt -63.0 -47.03 94.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-O 121.004 0.43 . . . . 0.0 110.621 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 47' ' ' GLN . . . . . 0.517 ' NE2' ' O ' ' A' ' 113' ' ' GLY . 84.5 mt-30 -65.13 -40.39 94.37 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.791 -0.641 . . . . 0.0 111.465 -179.4 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 48.4 t -60.7 -46.4 90.53 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.501 -179.366 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -65.55 -38.63 90.15 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.67 -0.493 . . . . 0.0 109.67 179.38 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 50' ' ' PHE . . . . . 0.566 ' CE2' ' NE2' ' B' ' 54' ' ' GLN . 53.0 t80 -60.28 -39.71 87.85 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.714 179.877 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 44.6 ttm180 -58.51 -42.34 87.46 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 110.088 -0.338 . . . . 0.0 110.088 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 40.2 ttmt -60.84 -39.7 90.05 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.024 0.44 . . . . 0.0 110.032 179.478 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 53' ' ' PHE . . . . . . . . . . . . . 55.2 t80 -59.59 -38.97 82.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.648 -179.74 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 54' ' ' GLN . . . . . 0.566 ' NE2' ' CE2' ' B' ' 50' ' ' PHE . 85.9 mt-30 -60.92 -38.85 87.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.653 -179.488 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 2.3 mmmm -60.61 -39.31 87.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.54 -179.72 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 4.8 mmtp -60.22 -41.99 94.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.611 179.662 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 64.3 tttm -60.72 -43.74 97.48 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.892 -0.41 . . . . 0.0 109.892 179.814 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -99.73 46.11 0.97 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.42 179.77 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . -60.38 -41.3 98.44 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 110.392 -1.083 . . . . 0.0 110.392 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 83.2 p -142.43 129.42 20.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.744 0.306 . . . . 0.0 110.244 179.139 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -67.17 -39.39 86.45 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.783 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 62.0 m . . . . . 0 C--O 1.221 -0.423 0 CA-C-O 117.952 -1.023 . . . . 0.0 110.626 -179.92 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 8.4 mtm . . . . . 0 N--CA 1.49 1.543 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 63.6 pttt -67.57 153.15 44.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.663 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 55.1 t0 54.18 63.41 2.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.139 -0.482 . . . . 0.0 109.865 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER 177.91 16.19 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.416 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.727 179.667 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 65.9 t0 -107.93 127.07 53.42 Favored 'General case' 0 C--O 1.226 -0.146 0 CA-C-O 120.857 0.361 . . . . 0.0 111.02 -179.21 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 68.0 m -80.9 -5.67 57.69 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.262 179.483 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -57.35 -39.21 75.49 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -69.42 -31.88 70.5 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.693 -0.685 . . . . 0.0 111.217 179.283 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -61.79 -43.71 98.31 Favored 'General case' 0 C--O 1.233 0.236 0 C-N-CA 120.415 -0.514 . . . . 0.0 110.519 -179.298 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 3.1 mm -70.54 -31.41 46.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.1 -0.5 . . . . 0.0 109.814 178.75 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 41.8 ttm180 -62.49 -37.93 87.91 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.593 -0.731 . . . . 0.0 110.287 179.106 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -58.45 -37.36 75.28 Favored 'General case' 0 C--N 1.334 -0.103 0 CA-C-N 116.045 -0.525 . . . . 0.0 109.802 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -59.74 -32.24 70.37 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.336 179.134 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.442 ' O ' ' OD1' ' A' ' 93' ' ' ASP . 72.4 m-85 -77.88 -38.18 46.44 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 120.611 -0.436 . . . . 0.0 110.321 178.035 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 1.8 mpt_? -47.96 -29.15 3.17 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.655 -179.425 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 48.4 t -60.06 -38.93 78.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-O 120.929 0.395 . . . . 0.0 110.161 179.255 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.405 ' CD1' ' OE1' ' A' ' 104' ' ' GLU . 22.5 m-85 -89.0 -24.96 22.25 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.336 179.769 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.568 ' N ' ' OD1' ' A' ' 93' ' ' ASP . 0.0 OUTLIER -85.84 62.95 7.77 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-O 121.12 0.486 . . . . 0.0 110.394 -179.475 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 16.6 ptpt -69.8 -24.21 63.45 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.863 -0.335 . . . . 0.0 111.883 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' ASP . . . . . 0.527 ' OD1' ' N ' ' A' ' 96' ' ' GLY . 55.0 p-10 -72.8 -25.47 61.16 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.764 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' GLY . . . . . 0.527 ' N ' ' OD1' ' A' ' 95' ' ' ASP . . . 69.26 25.45 75.44 Favored Glycine 0 CA--C 1.526 0.75 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 57.5 t30 -94.01 -7.67 42.11 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.658 0.266 . . . . 0.0 110.963 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 95.83 8.2 58.29 Favored Glycine 0 CA--C 1.529 0.932 0 N-CA-C 111.091 -0.804 . . . . 0.0 111.091 -179.681 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.455 ' CD1' ' N ' ' A' ' 99' ' ' TYR . 12.6 m-85 -133.5 156.39 47.85 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-O 121.168 0.509 . . . . 0.0 111.992 -179.11 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.516 HG22 ' OD1' ' A' ' 93' ' ' ASP . 0.1 OUTLIER -130.7 143.51 40.69 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.152 0 N-CA-C 107.7 -1.222 . . . . 0.0 107.7 177.896 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 41.4 t -59.47 135.9 57.81 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 119.917 -0.713 . . . . 0.0 110.295 -179.397 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.532 ' HB2' HG23 ' A' ' 136' ' ' VAL . . . -63.71 -37.75 88.52 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.026 0.441 . . . . 0.0 110.923 179.768 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -59.33 -41.71 89.75 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.724 -0.671 . . . . 0.0 112.777 -177.764 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.663 ' O ' HG23 ' A' ' 108' ' ' VAL . 0.6 OUTLIER -67.83 -29.43 68.58 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.162 -0.615 . . . . 0.0 110.65 -179.371 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 23.3 tp -62.56 -48.44 79.45 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.057 -0.52 . . . . 0.0 109.638 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 8.5 tmm_? -58.43 -50.14 74.76 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.617 -179.092 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' HIS . . . . . 0.546 ' ND1' ' OD1' ' A' ' 111' ' ' ASN . 62.3 t60 -61.13 -47.0 88.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.411 0.624 . . . . 0.0 110.619 179.704 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.663 HG23 ' O ' ' A' ' 104' ' ' GLU . 56.3 t -60.79 -38.3 78.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 115.038 -0.983 . . . . 0.0 111.181 -179.342 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 109' ' ' MET . . . . . 0.416 ' N ' ' SD ' ' A' ' 109' ' ' MET . 0.0 OUTLIER -76.01 -25.78 56.05 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.625 -179.538 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 58.7 p -104.53 -17.22 14.8 Favored 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 120.513 -0.475 . . . . 0.0 112.201 -178.303 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' ASN . . . . . 0.546 ' OD1' ' ND1' ' A' ' 107' ' ' HIS . 26.4 m120 -113.1 -49.49 2.92 Favored 'General case' 0 N--CA 1.469 0.52 0 N-CA-C 113.27 0.841 . . . . 0.0 113.27 -178.478 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.491 ' O ' ' O ' ' A' ' 113' ' ' GLY . 89.5 mt -88.14 148.68 24.31 Favored 'General case' 0 N--CA 1.467 0.377 0 C-N-CA 120.86 -0.336 . . . . 0.0 111.445 -178.608 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 113' ' ' GLY . . . . . 0.598 ' O ' ' NE2' ' B' ' 47' ' ' GLN . . . 41.23 101.41 0.01 OUTLIER Glycine 0 C--N 1.336 0.567 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 179.439 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 114' ' ' GLU . . . . . 0.504 ' O ' ' O ' ' A' ' 113' ' ' GLY . 97.6 mt-10 52.26 165.3 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 117.096 0.448 . . . . 0.0 110.325 179.53 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -124.02 118.77 27.73 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.835 -0.346 . . . . 0.0 111.089 -179.312 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.607 HD12 ' HB3' ' A' ' 120' ' ' GLU . 4.5 mm? -85.92 155.08 21.07 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 108.665 -0.865 . . . . 0.0 108.665 178.41 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 117' ' ' THR . . . . . 0.441 ' OG1' ' OE1' ' A' ' 120' ' ' GLU . 70.7 p -90.49 171.93 9.07 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.635 -0.426 . . . . 0.0 109.933 179.425 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -58.35 -42.64 87.36 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.875 -0.33 . . . . 0.0 110.653 -179.568 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -61.84 -40.3 94.81 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.953 -179.548 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 120' ' ' GLU . . . . . 0.607 ' HB3' HD12 ' A' ' 116' ' ' LEU . 0.5 OUTLIER -71.68 -40.74 69.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.049 0.452 . . . . 0.0 110.423 178.433 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.417 HG23 ' O ' ' A' ' 117' ' ' THR . 53.2 t -65.24 -41.5 91.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.085 179.784 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 68.2 t0 -59.23 -42.02 90.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.153 -179.116 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -61.74 -37.14 83.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.387 0.613 . . . . 0.0 110.363 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 124' ' ' MET . . . . . 0.596 ' SD ' ' CD1' ' B' ' 50' ' ' PHE . 2.4 mmm -77.28 -33.05 55.9 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.11 -0.95 . . . . 0.0 110.225 179.314 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 125' ' ' ILE . . . . . 0.594 HG13 HD11 ' A' ' 130' ' ' ILE . 0.1 OUTLIER -66.56 -36.52 77.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.145 -178.428 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 5.9 tpt180 -63.23 -63.52 1.17 Allowed 'General case' 0 C--N 1.332 -0.157 0 C-N-CA 120.407 -0.517 . . . . 0.0 110.01 -179.152 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -59.76 -8.6 2.18 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.664 -178.734 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.639 ' HB1' ' CG2' ' A' ' 136' ' ' VAL . . . -74.05 -69.18 0.46 Allowed 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.858 -0.337 . . . . 0.0 111.138 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 129' ' ' ASP . . . . . 0.465 ' CB ' ' O ' ' A' ' 128' ' ' ALA . 6.9 m-20 157.67 -88.95 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.679 0 CA-C-O 121.038 0.447 . . . . 0.0 110.703 179.847 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 130' ' ' ILE . . . . . 0.692 HG22 ' N ' ' A' ' 131' ' ' ASP . 73.7 mt 61.55 -112.86 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 115.443 -0.799 . . . . 0.0 111.615 -179.638 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 131' ' ' ASP . . . . . 0.692 ' N ' HG22 ' A' ' 130' ' ' ILE . 13.1 t0 73.78 -12.52 0.84 Allowed 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.073 -178.748 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 132' ' ' GLY . . . . . 0.474 ' H ' ' C ' ' A' ' 130' ' ' ILE . . . 142.12 -46.43 0.88 Allowed Glycine 0 CA--C 1.523 0.546 0 N-CA-C 110.612 -0.995 . . . . 0.0 110.612 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -56.36 -36.79 69.19 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 110.209 -0.293 . . . . 0.0 110.209 -178.868 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 73.04 39.11 54.76 Favored Glycine 0 CA--C 1.523 0.534 0 C-N-CA 120.511 -0.852 . . . . 0.0 111.95 178.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 16.7 pt20 -126.1 142.91 51.32 Favored 'General case' 0 CA--C 1.517 -0.323 0 CA-C-O 121.234 0.54 . . . . 0.0 110.346 178.627 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 136' ' ' VAL . . . . . 0.639 ' CG2' ' HB1' ' A' ' 128' ' ' ALA . 55.3 t -129.7 134.72 62.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 115.07 -0.968 . . . . 0.0 112.186 -178.572 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 55.3 t-20 -94.02 109.36 21.11 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.029 -1.1 . . . . 0.0 108.029 177.835 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 138' ' ' TYR . . . . . 0.482 ' CE2' ' OD2' ' A' ' 93' ' ' ASP . 40.5 p90 -61.62 -9.93 7.18 Favored 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 120.558 -0.457 . . . . 0.0 112.096 -178.234 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 75.4 mm-40 -59.84 -50.15 74.91 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 119.661 -0.816 . . . . 0.0 110.215 -179.452 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -61.18 -40.42 93.86 Favored 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 120.863 -0.335 . . . . 0.0 110.847 -179.36 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -61.4 -45.44 94.33 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 120.598 -0.441 . . . . 0.0 110.041 179.102 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 142' ' ' VAL . . . . . 0.448 ' O ' ' OG1' ' A' ' 146' ' ' THR . 56.1 t -63.8 -41.17 91.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.508 179.15 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -56.8 -43.29 80.79 Favored 'General case' 0 N--CA 1.455 -0.212 0 N-CA-C 109.177 -0.675 . . . . 0.0 109.177 -179.757 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 73.0 mtm -59.64 -40.78 88.76 Favored 'General case' 0 N--CA 1.455 -0.211 0 N-CA-C 108.807 -0.812 . . . . 0.0 108.807 179.13 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 66.2 mtt -73.17 -19.11 61.18 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.663 -0.699 . . . . 0.0 111.596 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 146' ' ' THR . . . . . 0.448 ' OG1' ' O ' ' A' ' 142' ' ' VAL . 0.2 OUTLIER -94.92 23.76 5.3 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.939 -0.304 . . . . 0.0 110.796 -179.843 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -119.04 76.49 1.11 Allowed 'General case' 0 C--N 1.332 -0.181 0 N-CA-C 109.898 -0.408 . . . . 0.0 109.898 179.349 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.22 -0.482 0 CA-C-O 118.017 -0.992 . . . . 0.0 110.584 -179.624 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 30' ' ' PHE . . . . . . . . . . . . . 22.2 m-85 . . . . . 0 N--CA 1.489 1.498 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 55.99 33.34 21.61 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.2 0.524 . . . . 0.0 110.064 -179.339 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 58.9 mt -126.37 126.04 68.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.489 179.83 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -76.12 128.69 35.49 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.802 -179.669 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 34' ' ' MET . . . . . . . . . . . . . 62.9 mtt -101.77 -8.47 21.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.624 179.616 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -62.49 -39.93 95.04 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.741 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -66.83 132.56 93.96 Favored Pre-proline 0 CA--C 1.537 0.454 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.301 -179.813 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -70.88 -22.35 27.08 Favored 'Trans proline' 0 N--CA 1.492 1.434 0 C-N-CA 122.017 1.811 . . . . 0.0 112.384 -179.774 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -62.98 -38.1 89.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.989 -179.523 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 99.1 m -59.79 -45.16 93.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.527 -0.306 . . . . 0.0 110.466 -179.492 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -61.73 -40.04 93.67 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.728 -0.471 . . . . 0.0 109.728 179.434 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.57 -43.26 89.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.533 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -61.7 -40.76 96.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.47 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -61.79 -41.11 97.31 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.519 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 62.7 t -63.17 -44.76 99.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.292 -179.762 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -60.75 -44.89 96.13 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.484 -0.325 . . . . 0.0 111.272 -178.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 97.0 mt -64.4 -46.91 91.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 C-N-CA 120.594 -0.442 . . . . 0.0 110.267 179.774 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 47' ' ' GLN . . . . . 0.598 ' NE2' ' O ' ' A' ' 113' ' ' GLY . 74.2 mt-30 -64.96 -41.48 95.44 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.512 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 48.3 t -61.75 -46.42 89.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.998 0.427 . . . . 0.0 110.337 -179.836 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 72.1 tp60 -65.78 -39.24 90.79 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.482 179.813 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 50' ' ' PHE . . . . . 0.596 ' CD1' ' SD ' ' A' ' 124' ' ' MET . 38.5 t80 -59.0 -47.06 86.56 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.961 -179.623 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -60.31 -41.09 92.76 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.619 -0.432 . . . . 0.0 110.077 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 64.7 mmtt -65.74 -39.43 91.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.763 179.369 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 53' ' ' PHE . . . . . . . . . . . . . 93.0 t80 -60.07 -49.79 76.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.435 -179.019 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 14.4 pt20 -71.27 -26.62 62.96 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.693 -0.403 . . . . 0.0 110.671 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -61.92 -41.86 98.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.153 179.599 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 64.2 tttm -60.03 -44.03 94.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.594 -179.75 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 64.7 tttp -60.55 -44.27 96.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.818 -179.691 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -95.37 15.98 18.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.605 -179.189 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . -60.18 -44.54 97.29 Favored Glycine 0 CA--C 1.526 0.73 0 N-CA-C 110.757 -0.937 . . . . 0.0 110.757 -179.701 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 50.2 m 41.47 41.15 1.49 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.586 0.231 . . . . 0.0 110.945 179.195 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 20.5 pt20 -64.33 151.19 44.53 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.858 -0.337 . . . . 0.0 110.79 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 2.8 m . . . . . 0 C--O 1.221 -0.43 0 CA-C-O 117.944 -1.027 . . . . 0.0 110.68 -179.977 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 95.7 mmm . . . . . 0 N--CA 1.489 1.496 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.408 ' O ' ' OD1' ' A' ' 78' ' ' ASP . 62.6 pttt -132.1 28.89 4.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.837 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.408 ' OD1' ' O ' ' A' ' 77' ' ' LYS . 98.7 m-20 -138.24 111.85 8.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.21 179.412 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.401 ' O ' ' CB ' ' A' ' 80' ' ' ASP . 24.9 m -85.76 -56.77 3.33 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 120.857 -0.337 . . . . 0.0 110.431 -179.697 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.401 ' CB ' ' O ' ' A' ' 79' ' ' THR . 10.8 t0 75.58 142.9 0.07 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.163 179.861 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 87.3 p -77.53 -7.36 56.16 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.89 179.807 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.692 ' CG ' HG21 ' A' ' 146' ' ' THR . 95.5 mt-10 -54.24 -35.9 62.97 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 120.423 -0.511 . . . . 0.0 109.711 -179.32 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 25.5 pt-20 -66.51 -32.9 74.54 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.894 179.454 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 53.5 tp10 -60.95 -47.61 85.62 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-O 121.072 0.463 . . . . 0.0 110.214 -179.102 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 4.4 mm -66.73 -35.06 73.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.122 178.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.574 ' CZ ' ' NH2' ' A' ' 90' ' ' ARG . 79.8 ttt180 -60.59 -38.91 86.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.108 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 70.9 mm-40 -58.58 -37.72 76.37 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.868 0.366 . . . . 0.0 110.022 -179.802 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -59.85 -35.2 74.26 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.278 179.036 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 72.7 m-85 -79.18 -38.15 36.55 Favored 'General case' 0 CA--C 1.531 0.216 0 C-N-CA 120.845 -0.342 . . . . 0.0 110.599 178.529 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.574 ' NH2' ' CZ ' ' A' ' 86' ' ' ARG . 95.2 mtt-85 -51.22 -28.43 11.44 Favored 'General case' 0 N--CA 1.463 0.21 0 C-N-CA 120.716 -0.394 . . . . 0.0 110.704 -178.573 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 55.6 t -60.83 -38.19 78.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 N-CA-C 109.798 -0.445 . . . . 0.0 109.798 178.229 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -85.28 -23.42 28.17 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.778 -0.647 . . . . 0.0 111.223 -179.694 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 58.9 t0 -89.89 71.76 7.56 Favored 'General case' 0 N--CA 1.463 0.203 0 C-N-CA 120.635 -0.426 . . . . 0.0 110.268 179.257 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 20.5 ptmt -70.5 -26.73 63.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.966 0.412 . . . . 0.0 110.961 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -71.14 -25.41 62.56 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.769 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 68.32 26.78 74.06 Favored Glycine 0 CA--C 1.527 0.803 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 58.5 t30 -91.66 -5.12 54.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.696 0.284 . . . . 0.0 110.868 -179.753 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' GLY . . . . . 0.403 ' O ' ' CE2' ' A' ' 138' ' ' TYR . . . 98.3 -7.78 62.19 Favored Glycine 0 CA--C 1.527 0.817 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 -179.715 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.51 ' CD1' ' N ' ' A' ' 99' ' ' TYR . 9.4 m-85 -120.73 160.89 22.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.049 0.452 . . . . 0.0 111.096 -178.858 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.427 HD13 HG21 ' A' ' 100' ' ' ILE . 0.1 OUTLIER -131.94 146.48 33.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 N-CA-C 108.131 -1.063 . . . . 0.0 108.131 178.492 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 41.1 t -59.68 133.03 55.72 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 119.643 -0.823 . . . . 0.0 109.712 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.519 ' HB2' HG23 ' A' ' 136' ' ' VAL . . . -65.35 -38.64 90.7 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.028 0.442 . . . . 0.0 111.214 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -59.19 -40.82 86.95 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.795 -0.639 . . . . 0.0 112.134 -177.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.716 ' O ' HG23 ' A' ' 108' ' ' VAL . 4.7 pt-20 -69.78 -30.72 68.35 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.388 -0.525 . . . . 0.0 110.634 -179.457 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 2.6 tt -61.41 -48.72 79.9 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.349 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 6.0 tmm_? -57.62 -48.31 79.79 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.541 -0.464 . . . . 0.0 110.014 -179.198 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' HIS . . . . . 0.484 ' O ' ' N ' ' A' ' 111' ' ' ASN . 85.7 t60 -61.28 -45.22 95.4 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.337 0.589 . . . . 0.0 110.308 179.617 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.716 HG23 ' O ' ' A' ' 104' ' ' GLU . 61.2 t -61.6 -38.43 80.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.167 -0.924 . . . . 0.0 111.038 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 109' ' ' MET . . . . . 0.521 ' N ' ' SD ' ' A' ' 109' ' ' MET . 0.0 OUTLIER -76.93 -28.85 55.4 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.707 -0.679 . . . . 0.0 112.217 -179.705 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.428 ' CG2' HG21 ' A' ' 121' ' ' VAL . 49.5 p -102.83 -15.92 16.08 Favored 'General case' 0 C--N 1.323 -0.557 0 C-N-CA 120.339 -0.544 . . . . 0.0 111.613 -178.286 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 111' ' ' ASN . . . . . 0.484 ' N ' ' O ' ' A' ' 107' ' ' HIS . 59.5 t30 -111.19 -50.39 2.94 Favored 'General case' 0 N--CA 1.468 0.427 0 N-CA-C 112.71 0.633 . . . . 0.0 112.71 -178.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 91.8 mt -90.23 167.23 12.85 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-O 120.74 0.305 . . . . 0.0 111.352 -179.198 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 58.61 -117.51 10.95 Favored Glycine 0 C--N 1.335 0.48 0 N-CA-C 111.482 -0.647 . . . . 0.0 111.482 178.677 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' GLU . . . . . 0.557 ' H ' ' CD ' ' B' ' 47' ' ' GLN . 6.0 mm-40 -96.9 168.49 10.46 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.26 -0.645 . . . . 0.0 109.26 178.499 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 27.0 mmtp -103.97 92.31 4.34 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.403 -179.207 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.569 ' N ' HD22 ' A' ' 116' ' ' LEU . 3.6 mm? -79.61 150.38 31.03 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 108.406 -0.961 . . . . 0.0 108.406 178.174 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 117' ' ' THR . . . . . 0.479 ' OG1' ' OE1' ' A' ' 120' ' ' GLU . 19.6 p -94.96 178.65 5.49 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 120.361 -0.536 . . . . 0.0 109.564 179.402 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -60.28 -39.51 87.14 Favored 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 120.703 -0.399 . . . . 0.0 110.414 -179.791 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -62.21 -43.35 99.04 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.045 -179.812 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 120' ' ' GLU . . . . . 0.547 ' HB3' HD12 ' A' ' 116' ' ' LEU . 5.7 mp0 -71.59 -44.52 64.33 Favored 'General case' 0 N--CA 1.455 -0.206 0 C-N-CA 120.666 -0.414 . . . . 0.0 111.21 179.106 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.707 HG12 HD13 ' A' ' 125' ' ' ILE . 73.5 t -65.21 -41.86 92.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.332 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -51.95 -42.7 63.07 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.568 -0.453 . . . . 0.0 110.334 -178.871 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 -63.31 -33.47 75.58 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.077 179.202 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 93.6 mtp -74.46 -36.93 63.35 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.042 179.326 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 125' ' ' ILE . . . . . 0.707 HD13 HG12 ' A' ' 121' ' ' VAL . 1.1 mp -60.3 -42.58 91.16 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.165 0 CA-C-N 115.613 -0.721 . . . . 0.0 111.608 -179.028 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 12.4 ttt85 -60.26 -63.96 1.12 Allowed 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 120.179 -0.609 . . . . 0.0 110.309 -179.236 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 127' ' ' GLU . . . . . 0.442 ' CD ' ' SD ' ' A' ' 144' ' ' MET . 57.6 mt-10 -61.39 -8.39 3.97 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.879 -0.601 . . . . 0.0 111.68 -178.513 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.585 ' HB1' ' CG2' ' A' ' 136' ' ' VAL . . . -75.23 -71.53 0.36 Allowed 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.84 -0.344 . . . . 0.0 110.897 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 129' ' ' ASP . . . . . 0.478 ' CG ' ' N ' ' A' ' 130' ' ' ILE . 2.9 t70 160.97 -87.06 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.407 0 CA-C-O 121.343 0.592 . . . . 0.0 110.684 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 130' ' ' ILE . . . . . 0.478 ' N ' ' CG ' ' A' ' 129' ' ' ASP . 0.7 OUTLIER 34.36 40.24 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 114.859 -1.064 . . . . 0.0 111.192 -179.148 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -61.23 -38.08 85.36 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.121 -0.696 . . . . 0.0 109.121 178.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 168.17 28.72 0.02 OUTLIER Glycine 0 CA--C 1.524 0.624 0 N-CA-C 110.254 -1.138 . . . . 0.0 110.254 179.681 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -131.69 -17.98 2.81 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-O 120.551 0.215 . . . . 0.0 111.388 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 72.55 30.86 63.67 Favored Glycine 0 CA--C 1.53 0.998 0 C-N-CA 121.059 -0.591 . . . . 0.0 112.486 179.18 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 135' ' ' GLN . . . . . 0.414 ' O ' ' OD2' ' A' ' 129' ' ' ASP . 11.8 pt20 -128.84 148.45 50.89 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-O 121.046 0.451 . . . . 0.0 110.908 179.159 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 136' ' ' VAL . . . . . 0.585 ' CG2' ' HB1' ' A' ' 128' ' ' ALA . 49.2 t -129.53 134.43 63.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.411 -0.813 . . . . 0.0 112.081 -179.326 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 137' ' ' ASN . . . . . 0.433 ' OD1' ' OE1' ' A' ' 139' ' ' GLU . 60.5 t30 -93.38 112.05 23.87 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 108.716 -0.846 . . . . 0.0 108.716 178.659 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 138' ' ' TYR . . . . . 0.444 ' CE1' ' OE2' ' A' ' 139' ' ' GLU . 38.4 p90 -66.22 -10.16 39.15 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 112.782 0.66 . . . . 0.0 112.782 -178.07 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 139' ' ' GLU . . . . . 0.444 ' OE2' ' CE1' ' A' ' 138' ' ' TYR . 4.9 mp0 -59.26 -51.43 69.98 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.102 -0.639 . . . . 0.0 111.005 -179.87 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 76.0 mm-40 -61.66 -40.29 94.42 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 120.827 -0.349 . . . . 0.0 110.9 -179.182 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -59.97 -45.51 92.44 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.888 -0.412 . . . . 0.0 109.888 178.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 53.5 t -64.19 -43.74 97.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 C-N-CA 120.787 -0.365 . . . . 0.0 110.792 179.289 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -63.29 -42.58 99.08 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.569 -0.452 . . . . 0.0 109.872 179.634 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 144' ' ' MET . . . . . 0.442 ' SD ' ' CD ' ' A' ' 127' ' ' GLU . 3.2 ttp -70.37 -52.04 25.44 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.093 178.847 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 83.0 mtp -62.74 -39.74 95.03 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.144 -0.48 . . . . 0.0 112.279 -179.158 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 146' ' ' THR . . . . . 0.692 HG21 ' CG ' ' A' ' 82' ' ' GLU . 63.4 m -69.01 -39.87 79.03 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 120.714 -0.394 . . . . 0.0 110.314 -179.459 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 147' ' ' ALA . . . . . 0.407 ' O ' ' O ' ' A' ' 146' ' ' THR . . . -49.99 -100.38 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.981 0.419 . . . . 0.0 110.738 -179.681 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 71.7 mmtt . . . . . 0 C--N 1.323 -0.553 0 CA-C-O 118.003 -0.999 . . . . 0.0 110.187 179.982 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 30' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 . . . . . 0 N--CA 1.49 1.544 0 N-CA-C 109.154 -0.684 . . . . 0.0 109.154 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 60.0 p30 -105.38 21.4 17.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.17 -179.441 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 32' ' ' ILE . . . . . 0.453 ' CG2' ' OE1' ' A' ' 104' ' ' GLU . 2.5 pt -101.04 158.85 4.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 120.845 0.355 . . . . 0.0 110.771 -179.27 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 66.4 m-20 -80.01 80.14 6.46 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 179.105 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 34' ' ' MET . . . . . . . . . . . . . 78.6 mtp -65.28 -34.18 77.74 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.614 -0.721 . . . . 0.0 111.162 -178.69 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -60.96 -37.97 84.27 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.431 -179.05 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.32 120.75 54.38 Favored Pre-proline 0 CA--C 1.543 0.676 0 C-N-CA 120.719 -0.392 . . . . 0.0 110.819 -179.378 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_exo -53.21 -29.68 47.57 Favored 'Trans proline' 0 N--CA 1.5 1.892 0 C-N-CA 122.032 1.821 . . . . 0.0 112.283 178.637 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -60.31 -36.85 78.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.662 -179.486 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 97.9 m -59.54 -44.51 93.2 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.666 -179.62 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -61.87 -40.65 96.12 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.744 -0.382 . . . . 0.0 110.615 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 90.1 mmt-85 -63.76 -39.69 94.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.67 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -61.38 -40.77 95.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.914 0.388 . . . . 0.0 110.517 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -62.03 -39.69 93.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.887 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 56.9 t -61.32 -46.04 97.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.527 -179.274 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -60.88 -44.44 97.08 Favored 'General case' 0 C--N 1.331 -0.218 0 C-N-CA 120.582 -0.447 . . . . 0.0 110.656 -179.429 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 81.8 mt -63.55 -48.03 88.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.095 179.527 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 47' ' ' GLN . . . . . 0.557 ' CD ' ' H ' ' A' ' 114' ' ' GLU . 75.2 mt-30 -66.08 -41.19 91.04 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.879 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 75.7 m -63.34 -43.86 96.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.925 0.393 . . . . 0.0 110.181 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 72.4 tp60 -66.51 -39.15 88.51 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.359 179.554 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 50' ' ' PHE . . . . . 0.473 ' CZ ' ' NE2' ' B' ' 54' ' ' GLN . 56.1 t80 -59.22 -47.47 85.22 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.743 -179.803 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 44.3 ttm180 -59.63 -42.13 92.03 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.635 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 62.8 mttp -61.36 -40.35 93.95 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.28 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 53' ' ' PHE . . . . . . . . . . . . . 65.9 t80 -61.13 -45.12 95.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.118 179.465 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 54' ' ' GLN . . . . . 0.473 ' NE2' ' CZ ' ' B' ' 50' ' ' PHE . 92.2 mt-30 -61.14 -40.34 93.45 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.89 -179.193 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 64.6 tttm -60.61 -44.48 96.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.814 0.34 . . . . 0.0 110.296 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 18.6 mmmt -62.53 -39.8 94.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.521 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -60.72 -44.56 96.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.447 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.52 -40.3 94.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.801 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 170.53 -167.75 40.86 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.938 -0.865 . . . . 0.0 110.938 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 1.6 t 71.81 53.95 0.2 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.738 0.304 . . . . 0.0 110.708 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 64.5 tt0 -116.35 128.0 55.15 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.303 179.717 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.219 -0.505 0 CA-C-O 118.006 -0.997 . . . . 0.0 110.555 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' MET . . . . . 0.516 ' O ' ' N ' ' A' ' 78' ' ' ASP . 66.9 ttp . . . . . 0 N--CA 1.491 1.6 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 88.0 tttt 39.87 -91.72 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.656 -179.817 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.516 ' N ' ' O ' ' A' ' 76' ' ' MET . 55.6 p30 -77.58 164.76 25.07 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.871 0.367 . . . . 0.0 110.815 -179.588 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.6 t -154.76 -20.38 0.12 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.741 -179.606 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -110.53 151.67 27.31 Favored 'General case' 0 C--N 1.335 -0.034 0 CA-C-O 120.973 0.416 . . . . 0.0 110.714 -179.821 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 66.0 m -80.05 -6.02 56.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.243 179.531 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -55.5 -39.15 70.1 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 -179.615 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.421 ' CD ' ' N ' ' A' ' 84' ' ' GLU . 3.2 pp20? -64.16 -34.69 78.65 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.614 179.301 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.421 ' N ' ' CD ' ' A' ' 83' ' ' GLU . 88.5 tt0 -62.99 -45.66 91.36 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-O 121.027 0.441 . . . . 0.0 110.454 -179.792 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 4.2 mm -65.22 -39.23 84.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.642 178.729 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 80.3 ttt180 -59.35 -38.28 79.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.201 -0.909 . . . . 0.0 111.017 179.854 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -56.24 -40.0 73.43 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.122 -0.49 . . . . 0.0 109.866 -179.395 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.71 -35.56 76.62 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.765 179.228 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 64.4 m-85 -73.83 -41.01 62.91 Favored 'General case' 0 C--N 1.332 -0.194 0 C-N-CA 120.469 -0.493 . . . . 0.0 110.324 178.419 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -49.07 -26.83 2.88 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.102 -178.156 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 55.3 t -61.18 -39.66 83.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 C-N-CA 120.674 -0.41 . . . . 0.0 110.629 179.021 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 27.8 m-85 -81.98 -23.44 36.05 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.848 -0.341 . . . . 0.0 110.814 -179.801 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.434 ' OD1' ' OD1' ' A' ' 95' ' ' ASP . 62.6 t0 -90.68 78.59 6.18 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.238 179.446 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.479 ' NZ ' ' CG ' ' B' ' 31' ' ' ASP . 16.0 ptpt -75.03 -25.38 58.69 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.751 0.31 . . . . 0.0 111.784 -179.796 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' ASP . . . . . 0.434 ' OD1' ' OD1' ' A' ' 93' ' ' ASP . 12.3 p-10 -75.69 -23.97 56.22 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.669 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 67.7 29.16 73.61 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.858 -0.897 . . . . 0.0 110.858 179.797 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' ASN . . . . . 0.532 ' O ' ' ND2' ' A' ' 97' ' ' ASN . 0.2 OUTLIER -95.8 -1.82 48.88 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 120.921 -0.312 . . . . 0.0 110.671 -179.855 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 98' ' ' GLY . . . . . 0.427 ' C ' ' CD1' ' A' ' 99' ' ' TYR . . . 93.9 13.8 53.88 Favored Glycine 0 CA--C 1.53 0.979 0 C-N-CA 120.799 -0.715 . . . . 0.0 111.432 -179.795 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.433 ' CD1' ' N ' ' A' ' 99' ' ' TYR . 24.1 m-85 -138.36 157.0 47.09 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-O 121.228 0.537 . . . . 0.0 112.145 -179.641 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -131.25 144.59 37.23 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.084 0 N-CA-C 107.926 -1.138 . . . . 0.0 107.926 177.919 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 40.5 t -60.53 132.05 52.68 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.032 -0.667 . . . . 0.0 110.625 -179.468 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.681 ' HB2' HG23 ' A' ' 136' ' ' VAL . . . -64.7 -38.83 92.33 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.923 179.653 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -60.04 -40.72 90.36 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.852 -0.613 . . . . 0.0 112.028 -178.323 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.581 ' O ' HG23 ' A' ' 108' ' ' VAL . 3.8 pt-20 -70.28 -30.05 66.97 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.511 -0.476 . . . . 0.0 110.488 -179.3 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 4.8 tt -60.97 -48.44 81.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.048 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.426 ' CD ' ' C ' ' A' ' 106' ' ' ARG . 0.0 OUTLIER -56.92 -49.47 75.51 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.22 -179.71 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 107' ' ' HIS . . . . . 0.588 ' CD2' ' CE2' ' B' ' 30' ' ' PHE . 79.2 t60 -61.79 -46.91 87.5 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.283 0.563 . . . . 0.0 110.812 179.126 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.581 HG23 ' O ' ' A' ' 104' ' ' GLU . 61.2 t -62.51 -39.57 84.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 115.497 -0.774 . . . . 0.0 111.673 -179.584 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 109' ' ' MET . . . . . 0.462 ' N ' ' SD ' ' A' ' 109' ' ' MET . 0.0 OUTLIER -70.16 -32.11 69.93 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.799 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.658 ' CG2' HG21 ' A' ' 121' ' ' VAL . 64.3 p -103.92 -14.03 16.14 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 112.235 0.457 . . . . 0.0 112.235 -178.166 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 111' ' ' ASN . . . . . 0.51 ' ND2' ' CE1' ' A' ' 107' ' ' HIS . 63.9 t30 -105.89 -28.63 10.49 Favored 'General case' 0 N--CA 1.463 0.216 0 N-CA-C 112.068 0.396 . . . . 0.0 112.068 -179.419 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 83.2 mt -118.59 -179.13 3.7 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 121.628 0.728 . . . . 0.0 111.84 -179.191 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 62.71 -122.91 29.23 Favored Glycine 0 CA--C 1.526 0.733 0 CA-C-N 114.612 -1.176 . . . . 0.0 112.145 179.108 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 114' ' ' GLU . . . . . 0.421 ' O ' ' O ' ' A' ' 115' ' ' LYS . 99.3 mt-10 -99.76 13.82 32.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.921 0.391 . . . . 0.0 111.054 -179.353 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.421 ' O ' ' O ' ' A' ' 114' ' ' GLU . 90.0 mttt 49.58 101.98 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.642 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.669 HD12 ' HB3' ' A' ' 120' ' ' GLU . 4.2 mm? -91.7 156.45 17.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.239 -179.819 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 117' ' ' THR . . . . . 0.524 ' O ' HG23 ' A' ' 121' ' ' VAL . 64.3 p -91.74 170.58 9.79 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.998 -0.371 . . . . 0.0 109.998 179.171 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 118' ' ' ASP . . . . . 0.531 ' OD1' ' N ' ' A' ' 119' ' ' GLU . 41.3 p-10 -58.44 -40.84 83.67 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.754 -0.378 . . . . 0.0 110.86 -179.793 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 119' ' ' GLU . . . . . 0.531 ' N ' ' OD1' ' A' ' 118' ' ' ASP . 88.6 tt0 -61.82 -42.7 99.35 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.664 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 120' ' ' GLU . . . . . 0.669 ' HB3' HD12 ' A' ' 116' ' ' LEU . 78.3 mm-40 -69.52 -40.01 77.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.093 0.473 . . . . 0.0 110.025 178.939 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.658 HG21 ' CG2' ' A' ' 110' ' ' THR . 76.9 t -66.73 -44.24 89.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.161 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -56.82 -46.57 81.57 Favored 'General case' 0 C--N 1.331 -0.205 0 C-N-CA 120.943 -0.303 . . . . 0.0 111.017 -178.085 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 53.6 tp10 -62.39 -37.2 84.85 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 179.076 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 124' ' ' MET . . . . . 0.599 ' SD ' ' CE1' ' B' ' 50' ' ' PHE . 37.0 mmm -70.78 -37.7 73.34 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.21 -0.905 . . . . 0.0 110.324 178.322 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 125' ' ' ILE . . . . . 0.505 HG13 HD11 ' A' ' 130' ' ' ILE . 0.1 OUTLIER -61.19 -37.34 77.27 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.156 0 CA-C-N 115.578 -0.737 . . . . 0.0 111.489 -177.532 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 24.6 mmm-85 -61.42 -63.16 1.37 Allowed 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 119.927 -0.709 . . . . 0.0 109.52 -179.62 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -59.68 -6.94 1.32 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.452 -178.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.519 ' HB1' HG21 ' A' ' 136' ' ' VAL . . . -76.82 -73.82 0.27 Allowed 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.681 -0.408 . . . . 0.0 110.222 179.294 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 129' ' ' ASP . . . . . 0.487 ' CG ' ' N ' ' A' ' 130' ' ' ILE . 10.0 t70 163.46 -93.08 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.709 0 CA-C-O 121.57 0.7 . . . . 0.0 111.102 179.075 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 130' ' ' ILE . . . . . 0.585 ' O ' HG22 ' A' ' 130' ' ' ILE . 64.6 mt 60.08 54.86 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 114.721 -1.127 . . . . 0.0 110.649 -178.67 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -82.46 65.55 7.64 Favored 'General case' 0 C--N 1.324 -0.528 0 C-N-CA 120.444 -0.502 . . . . 0.0 109.75 179.416 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 72.2 -54.62 1.48 Allowed Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.512 -1.035 . . . . 0.0 110.512 -179.6 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 133' ' ' ASP . . . . . 0.441 ' OD1' ' N ' ' A' ' 134' ' ' GLY . 38.8 p30 -61.2 -32.72 72.48 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 112.606 0.595 . . . . 0.0 112.606 -178.822 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 134' ' ' GLY . . . . . 0.441 ' N ' ' OD1' ' A' ' 133' ' ' ASP . . . 85.23 39.83 8.25 Favored Glycine 0 CA--C 1.53 0.989 0 C-N-CA 120.114 -1.041 . . . . 0.0 112.837 178.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 135' ' ' GLN . . . . . 0.434 ' O ' ' OD2' ' A' ' 129' ' ' ASP . 0.1 OUTLIER -123.54 145.23 49.03 Favored 'General case' 0 N--CA 1.466 0.342 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 177.797 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 136' ' ' VAL . . . . . 0.681 HG23 ' HB2' ' A' ' 102' ' ' ALA . 40.4 t -124.86 134.32 67.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.835 -0.621 . . . . 0.0 112.542 -178.602 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 137' ' ' ASN . . . . . 0.581 ' O ' ' ND2' ' A' ' 137' ' ' ASN . 0.4 OUTLIER -93.3 113.16 25.28 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 115.536 -0.756 . . . . 0.0 109.062 178.272 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 37.9 p90 -63.16 -6.79 4.64 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.486 -0.485 . . . . 0.0 111.962 -178.48 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -60.37 -51.05 71.17 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 119.952 -0.699 . . . . 0.0 110.7 -179.489 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 52.5 tp10 -60.37 -41.01 92.82 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-O 120.837 0.351 . . . . 0.0 110.729 -179.135 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 141' ' ' PHE . . . . . 0.517 ' O ' ' SD ' ' A' ' 145' ' ' MET . 3.9 m-85 -61.42 -41.05 96.56 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 120.409 -0.516 . . . . 0.0 109.799 179.187 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 52.5 t -64.07 -40.49 89.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 C-N-CA 120.533 -0.467 . . . . 0.0 110.584 178.793 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 143' ' ' GLN . . . . . 0.41 ' O ' ' N ' ' A' ' 147' ' ' ALA . 30.8 mt-30 -61.2 -40.4 93.8 Favored 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 178.877 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 72.7 mtp -60.46 -44.7 95.6 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 179.372 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 145' ' ' MET . . . . . 0.517 ' SD ' ' O ' ' A' ' 141' ' ' PHE . 0.0 OUTLIER -68.97 -15.8 63.57 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.187 179.808 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 73.3 p -120.99 18.5 11.72 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.785 0.326 . . . . 0.0 110.356 179.819 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 147' ' ' ALA . . . . . 0.41 ' N ' ' O ' ' A' ' 143' ' ' GLN . . . -141.36 52.92 1.54 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.575 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.219 -0.532 0 CA-C-O 118.013 -0.994 . . . . 0.0 110.693 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 30' ' ' PHE . . . . . 0.601 ' N ' ' CD1' ' B' ' 30' ' ' PHE . 0.1 OUTLIER . . . . . 0 N--CA 1.49 1.541 0 N-CA-C 109.163 -0.68 . . . . 0.0 109.163 . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 31' ' ' ASP . . . . . 0.479 ' CG ' ' NZ ' ' A' ' 94' ' ' LYS . 66.3 t0 -146.58 58.63 1.2 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.713 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 32' ' ' ILE . . . . . 0.424 HG21 HD13 ' B' ' 32' ' ' ILE . 7.9 pt -129.79 166.56 27.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 179.49 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 33' ' ' ASP . . . . . 0.467 ' OD2' ' HB2' ' B' ' 36' ' ' ALA . 63.3 t0 -81.45 76.63 8.37 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 120.217 -0.593 . . . . 0.0 109.526 179.368 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 34' ' ' MET . . . . . . . . . . . . . 99.2 mtp -62.87 -37.0 85.13 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.717 -179.239 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 67.1 t0 -60.55 -38.88 85.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.854 -179.374 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 36' ' ' ALA . . . . . 0.467 ' HB2' ' OD2' ' B' ' 33' ' ' ASP . . . -59.92 124.98 79.39 Favored Pre-proline 0 CA--C 1.541 0.627 0 C-N-CA 120.727 -0.389 . . . . 0.0 110.337 -179.709 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 76.2 Cg_exo -51.79 -27.21 26.19 Favored 'Trans proline' 0 N--CA 1.498 1.789 0 C-N-CA 121.783 1.655 . . . . 0.0 112.459 179.105 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 52.7 tp10 -59.32 -43.32 92.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.793 -178.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 93.9 m -61.81 -48.24 81.5 Favored 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 120.579 -0.448 . . . . 0.0 110.975 -179.437 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -64.45 -40.73 96.28 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.622 -0.51 . . . . 0.0 109.622 179.346 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 41' ' ' ARG . . . . . 0.504 HH12 ' HB2' ' B' ' 45' ' ' ALA . 51.6 tpt85 -61.6 -46.08 91.37 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.335 -0.848 . . . . 0.0 110.561 179.361 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -61.49 -40.29 94.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.238 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -61.55 -39.35 90.78 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.598 179.789 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 44' ' ' VAL . . . . . 0.408 ' O ' ' CB ' ' B' ' 48' ' ' SER . 52.9 t -60.43 -46.04 95.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.177 -179.34 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 45' ' ' ALA . . . . . 0.504 ' HB2' HH12 ' B' ' 41' ' ' ARG . . . -61.47 -46.54 89.63 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.52 -0.472 . . . . 0.0 111.175 -179.522 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 94.9 mt -66.71 -48.08 81.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.84 0.353 . . . . 0.0 111.329 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 47' ' ' GLN . . . . . 0.603 ' OE1' HD23 ' A' ' 116' ' ' LEU . 15.4 mm-40 -69.02 -40.47 78.65 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.937 -179.061 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 48' ' ' SER . . . . . 0.408 ' CB ' ' O ' ' B' ' 44' ' ' VAL . 47.7 t -62.95 -43.86 97.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.105 0.479 . . . . 0.0 110.185 179.449 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 10.0 tp-100 -63.51 -36.53 84.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.331 -179.869 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 50' ' ' PHE . . . . . 0.599 ' CE1' ' SD ' ' A' ' 124' ' ' MET . 43.2 t80 -57.62 -45.84 84.86 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.718 -179.823 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 45.0 ttm180 -57.58 -45.87 84.69 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 120.597 -0.441 . . . . 0.0 110.002 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 20.3 ttmm -62.2 -41.33 98.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.966 0.412 . . . . 0.0 110.146 179.175 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 53' ' ' PHE . . . . . . . . . . . . . 92.8 t80 -58.61 -46.81 86.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.414 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 98.3 mm-40 -61.42 -39.27 90.17 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.545 -179.834 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 38.8 ttpt -59.6 -45.98 90.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.606 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -63.41 -39.51 94.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.594 179.626 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -60.73 -43.44 97.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.204 -179.782 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.97 -39.6 90.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.503 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . -69.46 153.12 52.37 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 110.878 -0.889 . . . . 0.0 110.878 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 66.2 m -128.87 155.6 44.99 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.866 0.365 . . . . 0.0 110.605 -179.854 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 61' ' ' GLN . . . . . 0.463 ' OE1' ' N ' ' B' ' 61' ' ' GLN . 6.5 pm0 -138.78 152.66 48.1 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.832 -179.89 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.221 -0.447 0 CA-C-O 117.961 -1.018 . . . . 0.0 110.508 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 10.2 mmt . . . . . 0 N--CA 1.49 1.526 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 32.7 tttp 72.04 -54.25 0.68 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.457 179.823 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.425 ' O ' ' OD1' ' A' ' 78' ' ' ASP . 66.2 t0 -96.56 47.57 1.07 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.634 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 66.7 p -139.93 -57.81 0.56 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.818 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.42 ' OD2' ' OE1' ' A' ' 82' ' ' GLU . 33.8 t0 -173.12 134.9 0.56 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.911 179.602 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 68.6 m -82.28 -7.22 59.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.465 179.203 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.521 ' CG ' HG21 ' A' ' 146' ' ' THR . 98.2 mt-10 -56.15 -36.14 67.95 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 -179.03 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 22.8 pt-20 -66.83 -28.48 68.39 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.97 179.286 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -62.41 -46.43 88.6 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-O 120.925 0.393 . . . . 0.0 110.761 -179.079 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 1.8 mt -72.93 -28.72 27.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 121.141 0.496 . . . . 0.0 110.168 179.534 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 41.0 ttm180 -60.34 -39.41 87.03 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.905 -0.589 . . . . 0.0 109.883 179.145 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -58.89 -43.72 91.01 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 179.66 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.48 -37.9 82.53 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.957 179.779 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 37.7 m-85 -76.5 -43.28 40.24 Favored 'General case' 0 C--N 1.332 -0.175 0 C-N-CA 120.644 -0.423 . . . . 0.0 110.352 178.357 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 95.2 mtt180 -48.77 -24.42 1.41 Allowed 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.447 -178.91 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 53.2 t -61.77 -40.74 87.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 N-CA-C 109.938 -0.393 . . . . 0.0 109.938 178.612 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 20.2 m-85 -86.12 -25.6 25.69 Favored 'General case' 0 CA--C 1.53 0.206 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.213 -179.604 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 63.7 t0 -88.35 76.38 8.34 Favored 'General case' 0 C--N 1.332 -0.176 0 C-N-CA 120.52 -0.472 . . . . 0.0 109.822 179.248 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 3.9 ptmm? -71.05 -21.14 62.29 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.751 -179.683 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -82.74 -25.83 32.49 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.795 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 68.02 32.73 77.48 Favored Glycine 0 CA--C 1.526 0.732 0 N-CA-C 110.473 -1.051 . . . . 0.0 110.473 -179.786 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 58.5 t30 -96.26 -1.06 48.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.704 0.288 . . . . 0.0 110.775 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 94.26 6.11 61.67 Favored Glycine 0 CA--C 1.529 0.928 0 N-CA-C 111.56 -0.616 . . . . 0.0 111.56 179.845 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.459 ' CD1' ' N ' ' A' ' 99' ' ' TYR . 18.2 m-85 -134.77 158.99 42.73 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-O 121.204 0.526 . . . . 0.0 111.654 -179.597 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -132.44 149.67 32.51 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.155 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 178.279 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 67.0 m -60.3 131.84 52.05 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 119.685 -0.806 . . . . 0.0 109.964 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.578 ' HB2' HG23 ' A' ' 136' ' ' VAL . . . -66.81 -38.06 85.74 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.904 0.383 . . . . 0.0 111.059 179.697 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -60.63 -42.38 96.77 Favored 'General case' 0 N--CA 1.465 0.292 0 N-CA-C 112.737 0.643 . . . . 0.0 112.737 -178.109 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.723 ' O ' HG23 ' A' ' 108' ' ' VAL . 7.8 pt-20 -69.28 -27.15 65.16 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.318 -0.553 . . . . 0.0 110.445 -179.055 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 45.7 tp -61.5 -45.7 93.13 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 108.915 -0.772 . . . . 0.0 108.915 179.693 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 9.3 tpp180 -56.98 -50.16 73.55 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.224 -179.007 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' HIS . . . . . 0.427 ' O ' ' N ' ' A' ' 111' ' ' ASN . 52.7 t-80 -62.61 -44.46 96.24 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.41 0.624 . . . . 0.0 110.358 179.61 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.723 HG23 ' O ' ' A' ' 104' ' ' GLU . 74.4 t -61.77 -37.33 77.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 114.98 -1.009 . . . . 0.0 112.094 -178.782 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -82.64 -22.6 34.63 Favored 'General case' 0 N--CA 1.466 0.326 0 C-N-CA 120.595 -0.442 . . . . 0.0 111.8 -178.879 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.505 HG22 HG21 ' A' ' 121' ' ' VAL . 46.4 p -103.46 -16.63 15.52 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 120.464 -0.494 . . . . 0.0 111.347 -179.089 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 111' ' ' ASN . . . . . 0.427 ' N ' ' O ' ' A' ' 107' ' ' HIS . 17.0 t-20 -109.93 -48.7 3.17 Favored 'General case' 0 N--CA 1.464 0.272 0 C-N-CA 120.99 -0.284 . . . . 0.0 111.761 -179.534 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 91.0 mt -95.05 174.55 7.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.312 0.577 . . . . 0.0 111.79 -179.086 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 70.23 -123.09 11.82 Favored Glycine 0 CA--C 1.527 0.799 0 CA-C-N 115.005 -0.998 . . . . 0.0 112.927 178.679 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 114' ' ' GLU . . . . . 0.446 ' O ' ' O ' ' A' ' 115' ' ' LYS . 99.4 mt-10 -105.08 13.43 30.82 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.878 0.37 . . . . 0.0 111.466 -179.016 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.446 ' O ' ' O ' ' A' ' 114' ' ' GLU . 52.9 mttp 50.05 103.91 0.01 OUTLIER 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.791 179.813 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.529 HD12 ' HB3' ' A' ' 120' ' ' GLU . 4.5 mm? -91.25 158.44 16.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.788 -0.642 . . . . 0.0 109.735 179.21 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 72.6 p -92.35 170.07 10.07 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.194 -0.669 . . . . 0.0 109.194 178.572 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -59.12 -40.71 86.27 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 120.481 -0.487 . . . . 0.0 110.642 -179.308 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -63.11 -43.05 99.54 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.625 -0.43 . . . . 0.0 111.011 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 120' ' ' GLU . . . . . 0.529 ' HB3' HD12 ' A' ' 116' ' ' LEU . 52.1 mt-10 -69.4 -44.07 72.17 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.88 0.371 . . . . 0.0 111.129 179.701 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.557 HG12 HD13 ' A' ' 125' ' ' ILE . 65.2 t -65.63 -42.89 93.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.753 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -54.66 -39.01 67.61 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.283 -0.567 . . . . 0.0 109.604 -178.805 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -63.33 -37.41 87.14 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.214 0.531 . . . . 0.0 109.725 178.326 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 96.4 mtp -70.49 -38.43 74.37 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.655 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 125' ' ' ILE . . . . . 0.557 HD13 HG12 ' A' ' 121' ' ' VAL . 1.2 mp -59.2 -39.2 78.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.533 -179.646 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 83.9 mtp180 -67.87 -26.21 65.9 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.345 179.814 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -95.82 -3.41 45.64 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.641 179.43 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.502 ' HB1' HG21 ' A' ' 136' ' ' VAL . . . -87.97 -78.12 0.33 Allowed 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.745 -178.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 129' ' ' ASP . . . . . 0.471 ' CG ' ' N ' ' A' ' 130' ' ' ILE . 14.6 t0 164.45 -96.29 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.817 0 CA-C-O 121.384 0.612 . . . . 0.0 110.679 179.858 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 130' ' ' ILE . . . . . 0.471 ' N ' ' CG ' ' A' ' 129' ' ' ASP . 1.0 OUTLIER 60.7 57.76 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 114.985 -1.007 . . . . 0.0 110.725 -179.142 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 65.5 t0 -83.99 69.6 10.34 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 179.078 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 45.82 30.0 3.37 Favored Glycine 0 CA--C 1.527 0.797 0 N-CA-C 110.522 -1.031 . . . . 0.0 110.522 179.666 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 133' ' ' ASP . . . . . 0.448 ' OD1' ' O ' ' A' ' 133' ' ' ASP . 65.6 t0 -131.96 -22.45 2.32 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.702 0.287 . . . . 0.0 110.974 -179.398 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 79.17 26.79 57.12 Favored Glycine 0 CA--C 1.532 1.131 0 C-N-CA 120.914 -0.66 . . . . 0.0 112.994 178.676 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 135' ' ' GLN . . . . . 0.418 ' O ' ' OE1' ' A' ' 135' ' ' GLN . 0.0 OUTLIER -123.95 148.59 46.78 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-N 117.531 0.666 . . . . 0.0 110.881 179.345 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 136' ' ' VAL . . . . . 0.578 HG23 ' HB2' ' A' ' 102' ' ' ALA . 8.2 t -133.38 135.3 56.35 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.171 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.94 -179.381 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -90.5 110.26 21.38 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.659 -0.7 . . . . 0.0 109.852 178.81 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 38.0 p90 -65.86 -13.56 59.81 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 120.816 -0.354 . . . . 0.0 111.852 -179.003 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 60.5 mp0 -58.91 -48.16 82.45 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 120.08 -0.648 . . . . 0.0 110.821 -178.46 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -62.11 -43.1 99.56 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.65 -0.42 . . . . 0.0 111.005 -179.695 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -58.77 -48.02 82.67 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.179 -0.464 . . . . 0.0 109.969 179.4 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 55.1 t -64.12 -42.58 96.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.841 179.784 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 80.2 mm-40 -61.67 -41.05 97.02 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 108.546 -0.909 . . . . 0.0 108.546 178.504 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 2.3 ttt -66.73 -49.23 66.68 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.195 -0.911 . . . . 0.0 110.431 178.711 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 64.1 mtt -66.05 -34.91 79.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.868 179.794 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 146' ' ' THR . . . . . 0.521 HG21 ' CG ' ' A' ' 82' ' ' GLU . 62.4 m -67.73 -39.43 84.29 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 110.041 -0.355 . . . . 0.0 110.041 -179.121 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -55.79 91.73 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.859 0.361 . . . . 0.0 110.253 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 148' ' ' LYS . . . . . 0.5 ' O ' ' NZ ' ' A' ' 148' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.22 -0.47 0 CA-C-O 118.042 -0.98 . . . . 0.0 110.774 -179.73 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 30' ' ' PHE . . . . . . . . . . . . . 18.9 m-85 . . . . . 0 N--CA 1.491 1.606 0 N-CA-C 109.387 -0.597 . . . . 0.0 109.387 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 96.4 m-20 58.53 34.37 23.85 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.323 0.582 . . . . 0.0 109.628 -178.792 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 32' ' ' ILE . . . . . 0.417 HD11 ' CD ' ' A' ' 104' ' ' GLU . 83.1 mt -127.0 129.75 71.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.134 -0.939 . . . . 0.0 110.247 179.77 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -84.76 122.15 28.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.88 0.372 . . . . 0.0 110.834 -179.688 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 34' ' ' MET . . . . . . . . . . . . . 64.4 mtt -95.23 -3.91 46.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.668 179.828 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 56.1 p30 -85.74 4.52 36.38 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.952 -0.567 . . . . 0.0 109.963 179.77 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -102.46 110.05 62.01 Favored Pre-proline 0 CA--C 1.537 0.448 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.224 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 75.4 Cg_exo -50.6 -29.65 25.79 Favored 'Trans proline' 0 N--CA 1.495 1.58 0 C-N-CA 121.824 1.682 . . . . 0.0 111.926 179.475 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -60.41 -41.89 94.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.528 -179.811 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 97.1 m -61.15 -45.79 93.19 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.829 0.347 . . . . 0.0 110.396 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -62.0 -44.05 97.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.399 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 23.6 mmt85 -63.54 -40.14 96.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.352 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -61.91 -39.98 93.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.168 179.531 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -61.41 -39.89 92.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.652 179.832 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 54.6 t -61.66 -46.32 96.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.726 -179.308 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -61.31 -43.9 98.1 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.646 -0.421 . . . . 0.0 110.85 -179.272 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 97.4 mt -62.65 -47.43 92.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-O 121.052 0.454 . . . . 0.0 109.813 179.839 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 47' ' ' GLN . . . . . 0.447 ' OE1' ' CD2' ' A' ' 116' ' ' LEU . 76.6 mt-30 -66.57 -39.58 88.56 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.356 179.366 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 48.2 t -60.87 -45.75 93.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.825 0.345 . . . . 0.0 110.622 -179.57 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 3.6 mp0 -65.24 -35.91 82.5 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.898 179.692 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 50' ' ' PHE . . . . . 0.473 ' CE2' ' OE1' ' B' ' 54' ' ' GLN . 38.8 t80 -59.03 -48.5 81.35 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.666 -0.414 . . . . 0.0 110.601 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -62.56 -40.03 95.55 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.883 -0.327 . . . . 0.0 110.57 179.722 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 64.7 tttm -61.87 -41.26 97.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.376 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 53' ' ' PHE . . . . . . . . . . . . . 61.3 t80 -59.5 -43.01 93.44 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.373 -179.649 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 54' ' ' GLN . . . . . 0.473 ' OE1' ' CE2' ' B' ' 50' ' ' PHE . 47.3 mt-30 -61.12 -40.05 92.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.726 -179.552 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 14.4 tmtt? -60.28 -45.07 94.63 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.712 -179.731 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 27.4 ttpp -60.6 -47.7 85.04 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.556 -0.457 . . . . 0.0 110.213 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 51.2 tptt -64.62 -43.34 94.04 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 109.71 -0.478 . . . . 0.0 109.71 179.759 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . 38.64 46.43 1.0 Allowed 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.918 179.768 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . -61.28 -40.78 99.08 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 111.31 -0.716 . . . . 0.0 111.31 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 48.1 t -149.63 143.19 25.37 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.83 0.348 . . . . 0.0 110.81 -179.792 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -81.06 146.79 30.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.522 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 5.1 t . . . . . 0 C--O 1.22 -0.49 0 CA-C-O 118.005 -0.998 . . . . 0.0 110.606 179.982 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 66.2 mtt . . . . . 0 N--CA 1.489 1.504 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.431 ' O ' ' C ' ' A' ' 78' ' ' ASP . 98.8 mttt -110.59 121.36 45.12 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.368 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.431 ' C ' ' O ' ' A' ' 77' ' ' LYS . 68.2 t0 -31.29 126.01 0.2 Allowed 'General case' 0 N--CA 1.464 0.25 0 CA-C-O 121.243 0.544 . . . . 0.0 111.781 -178.642 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.488 ' O ' ' C ' ' A' ' 80' ' ' ASP . 92.3 m -125.32 140.15 53.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.277 -0.874 . . . . 0.0 110.079 -179.77 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.488 ' C ' ' O ' ' A' ' 79' ' ' THR . 99.2 m-20 -20.36 93.18 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.542 0 O-C-N 124.028 0.83 . . . . 0.0 112.008 -179.244 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 67.8 m -80.85 -7.28 59.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.509 -0.769 . . . . 0.0 111.043 -179.822 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -54.27 -31.17 53.06 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.268 0.556 . . . . 0.0 109.873 -179.748 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -70.37 -34.93 73.17 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.306 -0.861 . . . . 0.0 110.323 179.396 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -62.47 -47.16 85.2 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.771 -179.665 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 4.7 mm -66.62 -38.14 80.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.027 -0.533 . . . . 0.0 109.578 179.037 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.627 ' CZ ' HH21 ' A' ' 90' ' ' ARG . 75.4 ttt180 -59.71 -38.14 80.8 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.21 -0.905 . . . . 0.0 110.957 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -57.5 -40.82 79.5 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 -179.703 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -59.76 -35.79 75.33 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.676 179.571 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 60.8 m-85 -77.16 -40.42 45.53 Favored 'General case' 0 C--N 1.331 -0.196 0 C-N-CA 120.678 -0.409 . . . . 0.0 110.442 178.223 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.627 HH21 ' CZ ' ' A' ' 86' ' ' ARG . 94.1 mtt-85 -51.2 -25.11 4.95 Favored 'General case' 0 CA--C 1.52 -0.2 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.823 -178.773 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 53.8 t -61.89 -39.38 83.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.157 178.72 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 22.2 m-85 -85.0 -21.12 29.61 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.035 -179.677 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 65.2 t0 -91.24 84.73 5.68 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 178.72 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.417 ' HD2' ' H ' ' A' ' 94' ' ' LYS . 0.0 OUTLIER -86.44 -20.92 27.44 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.753 -0.379 . . . . 0.0 110.907 -179.307 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -74.67 -27.31 60.36 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.643 -0.503 . . . . 0.0 109.643 178.629 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 71.37 26.72 72.84 Favored Glycine 0 CA--C 1.526 0.749 0 N-CA-C 110.701 -0.96 . . . . 0.0 110.701 -179.699 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 56.2 p30 -94.14 -0.87 55.01 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 121.057 -0.257 . . . . 0.0 111.369 -179.823 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' GLY . . . . . 0.416 ' C ' ' CD1' ' A' ' 99' ' ' TYR . . . 92.93 10.78 59.59 Favored Glycine 0 CA--C 1.531 1.051 0 C-N-CA 120.947 -0.644 . . . . 0.0 111.56 179.829 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.462 ' CD1' ' N ' ' A' ' 99' ' ' TYR . 16.9 m-85 -136.87 158.54 44.22 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-O 121.208 0.527 . . . . 0.0 112.207 -179.787 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.429 HG21 HD13 ' A' ' 100' ' ' ILE . 0.2 OUTLIER -130.63 145.56 35.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 N-CA-C 107.593 -1.262 . . . . 0.0 107.593 177.842 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 67.2 m -59.98 130.34 46.24 Favored 'General case' 0 C--N 1.323 -0.553 0 C-N-CA 119.815 -0.754 . . . . 0.0 110.179 -179.571 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.656 ' HB2' HG23 ' A' ' 136' ' ' VAL . . . -64.15 -39.35 93.83 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.077 0.465 . . . . 0.0 111.075 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -60.82 -42.02 96.86 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 113.018 0.747 . . . . 0.0 113.018 -177.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.629 ' O ' HG23 ' A' ' 108' ' ' VAL . 7.8 pt-20 -69.85 -28.39 65.63 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 120.358 -0.537 . . . . 0.0 110.601 -178.849 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 3.4 tt -60.82 -47.8 84.69 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.848 -0.427 . . . . 0.0 109.848 179.596 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 8.7 tmm_? -56.59 -49.8 73.83 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.632 -0.427 . . . . 0.0 110.078 -179.481 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' HIS . . . . . 0.496 ' O ' ' N ' ' A' ' 111' ' ' ASN . 83.8 t60 -61.15 -46.35 90.88 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-O 121.332 0.587 . . . . 0.0 110.437 179.517 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.629 HG23 ' O ' ' A' ' 104' ' ' GLU . 63.2 t -61.32 -39.42 82.62 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 115.113 -0.949 . . . . 0.0 110.879 -179.808 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.8 -29.25 63.12 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.953 -179.521 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.54 ' CG2' HG21 ' A' ' 121' ' ' VAL . 69.8 p -104.01 -14.0 16.11 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 120.67 -0.412 . . . . 0.0 111.894 -178.44 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 111' ' ' ASN . . . . . 0.496 ' N ' ' O ' ' A' ' 107' ' ' HIS . 61.3 t30 -107.12 -48.96 3.37 Favored 'General case' 0 N--CA 1.466 0.365 0 N-CA-C 112.39 0.515 . . . . 0.0 112.39 -179.094 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.49 HD11 ' SD ' ' B' ' 34' ' ' MET . 86.5 mt -93.17 167.35 11.82 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-O 121.086 0.47 . . . . 0.0 111.987 -178.573 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 61.02 -115.01 7.25 Favored Glycine 0 CA--C 1.521 0.445 0 CA-C-N 115.705 -0.68 . . . . 0.0 111.997 178.432 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 114' ' ' GLU . . . . . 0.561 ' O ' HD22 ' A' ' 116' ' ' LEU . 99.2 mt-10 -115.9 96.26 5.5 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 179.197 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.402 ' H ' ' HG3' ' A' ' 115' ' ' LYS . 5.2 mtpm? -37.29 116.18 0.45 Allowed 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.718 -178.24 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.666 HD12 ' HB3' ' A' ' 120' ' ' GLU . 3.9 mm? -86.51 156.17 20.2 Favored 'General case' 0 C--N 1.332 -0.153 0 N-CA-C 107.925 -1.139 . . . . 0.0 107.925 177.788 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 67.0 p -89.01 165.58 14.46 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.205 -0.598 . . . . 0.0 109.782 178.905 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 118' ' ' ASP . . . . . 0.449 ' N ' ' OD1' ' A' ' 118' ' ' ASP . 11.1 p-10 -58.24 -40.14 80.97 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 120.569 -0.453 . . . . 0.0 110.3 -179.875 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 119' ' ' GLU . . . . . 0.434 ' OE1' ' OD1' ' A' ' 118' ' ' ASP . 60.9 mp0 -62.7 -41.76 99.3 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.167 179.841 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 120' ' ' GLU . . . . . 0.666 ' HB3' HD12 ' A' ' 116' ' ' LEU . 51.0 mt-10 -69.96 -43.22 72.0 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.861 179.315 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.602 HG12 HD13 ' A' ' 125' ' ' ILE . 55.7 t -63.21 -43.01 98.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 116.238 -0.437 . . . . 0.0 109.987 179.38 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -55.38 -39.43 70.12 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 120.182 -0.607 . . . . 0.0 109.744 -178.839 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 78.6 mm-40 -63.01 -38.08 89.77 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 178.304 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 96.0 mtp -70.41 -39.65 74.35 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.883 -179.707 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 125' ' ' ILE . . . . . 0.602 HD13 HG12 ' A' ' 121' ' ' VAL . 1.1 mp -57.96 -39.48 72.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.469 -179.409 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 34.5 mmt180 -68.0 -27.3 66.44 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.488 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -95.69 -8.07 35.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.004 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.672 ' HB1' HG21 ' A' ' 136' ' ' VAL . . . -82.34 -73.58 0.39 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.239 -179.166 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 129' ' ' ASP . . . . . 0.486 ' CG ' ' N ' ' A' ' 130' ' ' ILE . 13.6 t0 159.67 -96.33 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.799 0 O-C-N 123.703 0.627 . . . . 0.0 110.267 179.815 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 130' ' ' ILE . . . . . 0.486 ' N ' ' CG ' ' A' ' 129' ' ' ASP . 0.8 OUTLIER 62.43 75.05 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.038 -0.983 . . . . 0.0 110.844 -179.284 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 58.4 p30 -90.86 50.24 1.77 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.544 -0.753 . . . . 0.0 109.103 179.018 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 81.36 -48.54 3.84 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.58 -1.008 . . . . 0.0 110.58 -179.567 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -59.88 -39.24 84.63 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 121.158 -0.217 . . . . 0.0 111.005 -179.198 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 98.55 41.29 3.2 Favored Glycine 0 CA--C 1.526 0.728 0 C-N-CA 120.379 -0.915 . . . . 0.0 111.889 179.578 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 20.0 pt20 -125.46 144.8 50.37 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-O 121.18 0.514 . . . . 0.0 111.096 179.575 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 136' ' ' VAL . . . . . 0.672 HG21 ' HB1' ' A' ' 128' ' ' ALA . 27.1 t -128.83 134.01 65.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.395 -0.82 . . . . 0.0 111.833 -179.456 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 137' ' ' ASN . . . . . 0.582 ' O ' ' ND2' ' A' ' 137' ' ' ASN . 0.4 OUTLIER -91.9 113.44 25.71 Favored 'General case' 0 N--CA 1.452 -0.37 0 N-CA-C 109.23 -0.656 . . . . 0.0 109.23 178.439 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 40.2 p90 -62.98 -8.63 7.62 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 112.394 0.516 . . . . 0.0 112.394 -178.305 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -59.67 -50.14 75.03 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 119.956 -0.698 . . . . 0.0 110.737 -179.329 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -60.82 -39.34 88.61 Favored 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 120.985 -0.286 . . . . 0.0 111.44 -178.901 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -60.79 -43.77 97.69 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 178.892 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 55.1 t -65.09 -46.08 92.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.219 179.108 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 143' ' ' GLN . . . . . 0.439 ' O ' ' HB2' ' A' ' 147' ' ' ALA . 30.4 mt-30 -63.03 -41.02 99.42 Favored 'General case' 0 CA--C 1.519 -0.243 0 N-CA-C 108.968 -0.752 . . . . 0.0 108.968 178.845 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 2.2 ttp -60.66 -47.76 84.79 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.294 -0.866 . . . . 0.0 109.234 178.15 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 9.2 mtm -72.23 -19.08 61.77 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.777 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 77.0 p -114.41 17.57 17.36 Favored 'General case' 0 N--CA 1.464 0.242 0 C-N-CA 121.195 -0.202 . . . . 0.0 111.49 -179.321 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 147' ' ' ALA . . . . . 0.439 ' HB2' ' O ' ' A' ' 143' ' ' GLN . . . -116.85 66.03 0.72 Allowed 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.685 -0.234 . . . . 0.0 110.648 179.606 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 10.7 tptp . . . . . 0 C--O 1.221 -0.431 0 CA-C-O 117.951 -1.023 . . . . 0.0 110.554 179.868 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 30' ' ' PHE . . . . . . . . . . . . . 47.9 m-85 . . . . . 0 N--CA 1.491 1.595 0 N-CA-C 109.532 -0.544 . . . . 0.0 109.532 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 56.48 37.12 28.55 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.373 0.606 . . . . 0.0 109.862 -179.107 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 32' ' ' ILE . . . . . 0.457 HD11 ' CD ' ' A' ' 104' ' ' GLU . 67.7 mt -126.18 134.62 66.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.144 -0.934 . . . . 0.0 110.478 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 66.4 t0 -77.21 102.88 6.83 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 121.175 0.512 . . . . 0.0 110.518 -179.309 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 34' ' ' MET . . . . . 0.49 ' SD ' HD11 ' A' ' 112' ' ' LEU . 81.3 mmm -76.16 -30.79 58.24 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.805 -179.34 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -62.25 -41.97 98.91 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.916 -0.584 . . . . 0.0 112.163 -178.818 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.16 135.18 90.76 Favored Pre-proline 0 CA--C 1.538 0.487 0 C-N-CA 120.659 -0.416 . . . . 0.0 110.802 -178.736 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -70.71 -22.81 27.24 Favored 'Trans proline' 0 N--CA 1.492 1.417 0 C-N-CA 122.187 1.925 . . . . 0.0 112.451 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 75.4 mm-40 -62.57 -39.91 95.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.627 -179.732 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 99.8 m -61.41 -48.91 79.05 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.829 -179.712 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -65.22 -40.97 94.82 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.359 0.6 . . . . 0.0 109.401 179.177 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 24.7 tpt180 -60.59 -45.42 94.05 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.125 -0.943 . . . . 0.0 110.193 179.818 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -61.45 -39.05 89.45 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.85 -0.613 . . . . 0.0 110.344 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -60.6 -38.93 86.31 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.55 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 55.3 t -60.5 -46.35 95.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.272 -179.483 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -61.17 -46.66 89.59 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 120.502 -0.479 . . . . 0.0 110.856 -179.487 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 88.8 mt -64.54 -47.33 89.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-O 120.879 0.371 . . . . 0.0 111.071 179.581 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 47' ' ' GLN . . . . . 0.464 ' OE1' ' N ' ' A' ' 114' ' ' GLU . 76.3 mt-30 -65.85 -40.9 92.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.337 -179.707 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 48.0 t -62.45 -45.12 94.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.034 0.445 . . . . 0.0 110.562 179.832 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 94.7 mm-40 -64.3 -38.12 89.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.183 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 50' ' ' PHE . . . . . 0.626 ' CE2' ' NE2' ' B' ' 54' ' ' GLN . 53.5 t80 -58.07 -47.3 83.59 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.717 -0.393 . . . . 0.0 110.31 -179.87 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 63.4 ttm-85 -60.3 -41.24 92.99 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.227 179.522 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 65.0 tttp -60.16 -39.36 86.16 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.274 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 53' ' ' PHE . . . . . . . . . . . . . 47.8 t80 -58.56 -42.82 88.8 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.122 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 54' ' ' GLN . . . . . 0.626 ' NE2' ' CE2' ' B' ' 50' ' ' PHE . 76.3 mt-30 -62.47 -40.21 95.91 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.27 -179.717 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 21.7 mtmt -60.9 -38.18 84.8 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 120.894 -0.322 . . . . 0.0 110.952 -179.789 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 34.6 mmtm -61.28 -39.26 89.75 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 120.639 -0.424 . . . . 0.0 110.136 179.694 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 73.0 mmtt -79.96 -17.79 52.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.528 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.77 -39.62 92.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.391 -179.328 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . -59.33 123.61 33.94 Favored Glycine 0 CA--C 1.524 0.641 0 C-N-CA 120.551 -0.833 . . . . 0.0 111.051 -179.289 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 47.9 t -63.43 -44.0 95.84 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.84 0.352 . . . . 0.0 110.932 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 5.6 tt0 72.82 8.75 5.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.279 -179.351 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.22 -0.471 0 CA-C-O 117.993 -1.004 . . . . 0.0 110.541 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 13.3 mmt . . . . . 0 N--CA 1.49 1.556 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 88.2 tttt 57.53 90.16 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.646 179.318 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.525 ' OD2' ' NH1' ' A' ' 86' ' ' ARG . 41.2 t0 61.77 61.41 1.43 Allowed 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.714 179.153 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 36.2 p -79.28 -145.12 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.34 179.353 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 55.11 174.36 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.187 179.403 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 89.6 p -71.79 -8.6 55.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.696 -0.683 . . . . 0.0 110.37 179.765 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.732 ' HG2' HG21 ' A' ' 146' ' ' THR . 95.0 mt-10 -54.67 -36.61 64.79 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 -179.426 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 3.0 pp20? -67.46 -31.74 72.11 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.766 179.279 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 15.6 tm-20 -63.14 -47.1 84.18 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-O 121.138 0.494 . . . . 0.0 110.106 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 4.5 mm -67.43 -35.23 72.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.623 -0.717 . . . . 0.0 109.579 178.798 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.572 ' CZ ' ' NH2' ' A' ' 90' ' ' ARG . 56.9 ttp180 -58.06 -38.72 76.85 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.334 -0.848 . . . . 0.0 110.25 -179.875 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -58.82 -41.86 87.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.111 -0.495 . . . . 0.0 109.846 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.42 -38.21 86.29 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.515 179.169 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 35.0 m-85 -72.27 -42.74 65.24 Favored 'General case' 0 C--N 1.332 -0.164 0 C-N-CA 120.441 -0.504 . . . . 0.0 109.833 178.162 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.572 ' NH2' ' CZ ' ' A' ' 86' ' ' ARG . 93.7 mtt180 -45.94 -25.7 0.59 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.602 -178.806 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 54.1 t -61.99 -39.59 84.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 C-N-CA 120.904 -0.319 . . . . 0.0 110.507 178.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 27.5 m-85 -83.33 -25.1 31.78 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 120.763 -0.375 . . . . 0.0 110.454 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.437 ' OD1' ' N ' ' A' ' 96' ' ' GLY . 62.1 t0 -92.13 81.38 5.04 Favored 'General case' 0 C--N 1.332 -0.181 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 178.752 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 65.5 pttt -70.27 -19.4 63.11 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 112.451 0.537 . . . . 0.0 112.451 -179.115 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -92.56 -21.92 19.82 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.751 -179.781 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' GLY . . . . . 0.437 ' N ' ' OD1' ' A' ' 93' ' ' ASP . . . 68.49 36.21 83.22 Favored Glycine 0 CA--C 1.523 0.543 0 N-CA-C 109.846 -1.302 . . . . 0.0 109.846 -179.111 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 56.4 t30 -91.68 -3.18 56.6 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.687 0.279 . . . . 0.0 110.632 -179.802 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' GLY . . . . . 0.406 ' C ' ' CD1' ' A' ' 99' ' ' TYR . . . 93.73 6.98 61.86 Favored Glycine 0 CA--C 1.529 0.917 0 C-N-CA 121.187 -0.53 . . . . 0.0 111.87 179.696 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.473 ' CD1' ' N ' ' A' ' 99' ' ' TYR . 15.1 m-85 -136.97 159.76 40.91 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-O 121.005 0.431 . . . . 0.0 111.403 -179.864 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.44 HD13 HG21 ' A' ' 100' ' ' ILE . 1.7 pt -131.2 146.16 34.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 N-CA-C 108.438 -0.949 . . . . 0.0 108.438 178.701 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 67.6 m -65.58 100.45 0.52 Allowed 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 120.077 -0.649 . . . . 0.0 110.737 -179.494 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.76 ' HB2' HG23 ' A' ' 136' ' ' VAL . . . -40.66 -30.86 0.13 Allowed 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 112.67 0.618 . . . . 0.0 112.67 -178.102 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -61.21 -39.49 90.44 Favored 'General case' 0 C--N 1.323 -0.564 0 C-N-CA 120.529 -0.469 . . . . 0.0 111.301 -179.3 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.595 ' O ' HG23 ' A' ' 108' ' ' VAL . 5.5 pt-20 -73.76 -30.68 62.93 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.694 -0.403 . . . . 0.0 110.861 -179.381 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 3.8 tt -60.05 -49.19 78.65 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.496 -0.482 . . . . 0.0 109.944 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.538 ' O ' HG23 ' A' ' 110' ' ' THR . 8.4 tmm_? -57.43 -50.28 73.51 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.5 -0.48 . . . . 0.0 109.978 -179.338 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 73.8 t60 -60.29 -47.16 87.21 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.252 0.549 . . . . 0.0 110.847 179.367 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.595 HG23 ' O ' ' A' ' 104' ' ' GLU . 66.1 t -62.13 -39.06 82.53 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 115.326 -0.852 . . . . 0.0 111.448 -179.737 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.75 -26.44 60.66 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.735 -179.238 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.538 HG23 ' O ' ' A' ' 106' ' ' ARG . 52.3 p -99.49 -11.94 20.62 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 112.544 0.572 . . . . 0.0 112.544 -178.091 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 27.6 m120 -118.1 -27.09 6.19 Favored 'General case' 0 N--CA 1.47 0.567 0 N-CA-C 113.036 0.754 . . . . 0.0 113.036 -179.042 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.586 HD11 ' CE ' ' B' ' 34' ' ' MET . 90.5 mt -113.5 -179.38 3.62 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-O 121.324 0.583 . . . . 0.0 111.585 -179.225 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 62.21 -123.41 31.09 Favored Glycine 0 CA--C 1.525 0.69 0 CA-C-N 115.261 -0.881 . . . . 0.0 112.448 178.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 114' ' ' GLU . . . . . 0.44 ' O ' ' O ' ' A' ' 115' ' ' LYS . 80.3 mm-40 -100.26 15.77 26.52 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.457 -0.371 . . . . 0.0 110.996 -179.49 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.44 ' O ' ' O ' ' A' ' 114' ' ' GLU . 49.0 mttm 46.32 103.47 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.628 -0.715 . . . . 0.0 111.256 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.479 ' N ' HD22 ' A' ' 116' ' ' LEU . 4.3 mm? -91.71 155.35 18.35 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.694 -0.685 . . . . 0.0 109.545 179.166 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 66.9 p -91.43 169.38 10.83 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.257 -0.645 . . . . 0.0 109.257 178.559 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -59.04 -39.29 81.53 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 120.493 -0.483 . . . . 0.0 110.379 -179.43 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -62.37 -44.17 97.1 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.849 -0.34 . . . . 0.0 110.663 179.698 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 120' ' ' GLU . . . . . 0.443 ' HB3' HD12 ' A' ' 116' ' ' LEU . 51.8 mt-10 -67.55 -42.93 81.85 Favored 'General case' 0 C--N 1.332 -0.189 0 C-N-CA 120.804 -0.358 . . . . 0.0 110.617 179.159 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.661 HG12 HD13 ' A' ' 125' ' ' ILE . 53.2 t -63.73 -46.47 94.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.298 179.283 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 68.3 t0 -49.94 -41.48 46.39 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 120.249 -0.58 . . . . 0.0 109.529 -179.388 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 123' ' ' GLU . . . . . 0.537 ' OE1' ' NH2' ' A' ' 126' ' ' ARG . 53.1 tp10 -62.41 -38.7 90.69 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 178.518 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 96.2 mtp -70.51 -38.93 74.37 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.689 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 125' ' ' ILE . . . . . 0.661 HD13 HG12 ' A' ' 121' ' ' VAL . 1.3 mp -60.17 -42.0 88.67 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.332 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.332 -179.029 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 126' ' ' ARG . . . . . 0.537 ' NH2' ' OE1' ' A' ' 123' ' ' GLU . 86.9 mtm180 -66.85 -26.12 66.75 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.873 0.368 . . . . 0.0 110.629 -179.882 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 127' ' ' GLU . . . . . 0.428 ' O ' ' OE2' ' A' ' 140' ' ' GLU . 80.3 mm-40 -95.93 -0.17 51.15 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.913 179.653 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.684 ' HB1' HG21 ' A' ' 136' ' ' VAL . . . -91.78 -77.26 0.43 Allowed 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 121.023 -0.271 . . . . 0.0 111.557 -179.082 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 129' ' ' ASP . . . . . 0.426 ' CG ' ' O ' ' A' ' 128' ' ' ALA . 1.2 m-20 168.86 -94.69 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.443 0 CA-C-O 120.919 0.39 . . . . 0.0 110.73 -179.832 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 130' ' ' ILE . . . . . 0.413 ' O ' HG22 ' A' ' 130' ' ' ILE . 22.3 mt 51.96 53.35 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.895 179.794 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -61.19 -39.81 91.59 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 108.54 -0.911 . . . . 0.0 108.54 178.375 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -175.71 -46.47 0.06 OUTLIER Glycine 0 CA--C 1.526 0.775 0 CA-C-N 114.872 -1.058 . . . . 0.0 111.215 179.613 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -61.54 -39.7 92.02 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 120.993 -0.283 . . . . 0.0 111.582 -179.074 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 99.21 38.86 3.66 Favored Glycine 0 CA--C 1.528 0.853 0 C-N-CA 120.614 -0.803 . . . . 0.0 111.827 179.781 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 8.7 pt20 -120.41 145.97 46.66 Favored 'General case' 0 N--CA 1.463 0.194 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 178.5 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 136' ' ' VAL . . . . . 0.76 HG23 ' HB2' ' A' ' 102' ' ' ALA . 5.0 t -127.11 134.38 66.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 121.096 0.474 . . . . 0.0 111.95 -178.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 137' ' ' ASN . . . . . 0.428 ' OD1' ' O ' ' A' ' 137' ' ' ASN . 36.5 p-10 -89.56 109.51 20.45 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 108.864 -0.791 . . . . 0.0 108.864 178.31 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 29.9 p90 -64.42 -8.45 13.47 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 120.628 -0.429 . . . . 0.0 111.715 -178.542 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -59.82 -49.95 75.72 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 120.346 -0.542 . . . . 0.0 111.078 -178.836 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 140' ' ' GLU . . . . . 0.462 ' OE2' ' O ' ' A' ' 128' ' ' ALA . 24.2 pt-20 -62.23 -38.11 87.94 Favored 'General case' 0 N--CA 1.463 0.224 0 C-N-CA 120.438 -0.505 . . . . 0.0 110.729 -179.036 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -61.11 -42.61 98.83 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.568 -0.53 . . . . 0.0 109.568 179.153 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 56.0 t -63.23 -41.19 91.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 178.483 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 143' ' ' GLN . . . . . 0.519 ' O ' ' N ' ' A' ' 147' ' ' ALA . 88.0 mm-40 -61.55 -41.37 97.27 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.175 -0.676 . . . . 0.0 109.175 178.756 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 70.8 mtp -60.08 -44.46 94.75 Favored 'General case' 0 C--N 1.333 -0.116 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 179.015 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 65.3 mtt -71.52 -16.93 62.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.51 -0.768 . . . . 0.0 111.592 -179.798 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 146' ' ' THR . . . . . 0.732 HG21 ' HG2' ' A' ' 82' ' ' GLU . 70.7 p -122.05 13.92 10.58 Favored 'General case' 0 C--N 1.332 -0.191 0 C-N-CA 121.145 -0.222 . . . . 0.0 111.011 -179.463 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 147' ' ' ALA . . . . . 0.519 ' N ' ' O ' ' A' ' 143' ' ' GLN . . . -110.46 68.44 0.67 Allowed 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 109.836 -0.431 . . . . 0.0 109.836 179.077 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 9.8 tptp . . . . . 0 C--O 1.22 -0.462 0 CA-C-O 118.006 -0.997 . . . . 0.0 110.556 -179.643 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 30' ' ' PHE . . . . . 0.443 ' CD1' ' N ' ' B' ' 30' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.552 0 N-CA-C 109.052 -0.721 . . . . 0.0 109.052 . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 66.2 t0 -88.51 68.28 8.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.024 -179.48 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 32' ' ' ILE . . . . . 0.409 HD13 HG21 ' B' ' 32' ' ' ILE . 1.6 pt -136.53 165.52 28.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 179.158 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 33' ' ' ASP . . . . . 0.476 ' OD2' ' HB2' ' B' ' 36' ' ' ALA . 60.1 t0 -82.99 82.66 8.14 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 120.391 -0.524 . . . . 0.0 109.698 179.455 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 34' ' ' MET . . . . . 0.586 ' CE ' HD11 ' A' ' 112' ' ' LEU . 94.9 mmm -62.42 -39.3 92.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.702 -179.46 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 66.7 t0 -61.52 -39.65 91.78 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.584 -0.735 . . . . 0.0 111.532 -179.175 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 36' ' ' ALA . . . . . 0.476 ' HB2' ' OD2' ' B' ' 33' ' ' ASP . . . -59.71 137.58 89.96 Favored Pre-proline 0 CA--C 1.536 0.431 0 C-N-CA 120.583 -0.447 . . . . 0.0 110.401 -179.102 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -70.14 -22.2 30.64 Favored 'Trans proline' 0 N--CA 1.493 1.464 0 C-N-CA 122.332 2.021 . . . . 0.0 112.866 -179.565 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 59.8 mp0 -62.24 -40.29 95.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.477 -179.606 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 95.2 m -62.46 -45.83 91.27 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.792 -0.363 . . . . 0.0 110.228 179.742 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -62.87 -43.06 99.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.106 179.589 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 18.7 mmm180 -63.32 -40.48 97.46 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.502 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -61.86 -40.21 94.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.09 179.71 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -61.68 -39.2 90.57 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.733 179.821 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 53.4 t -60.6 -47.22 93.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.507 -179.173 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -61.77 -45.78 92.42 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.694 -0.402 . . . . 0.0 111.234 -179.274 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 91.6 mt -63.61 -47.81 89.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-O 121.062 0.458 . . . . 0.0 110.573 179.763 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 47' ' ' GLN . . . . . 0.409 ' OE1' ' N ' ' A' ' 114' ' ' GLU . 76.6 mt-30 -66.7 -39.56 88.13 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.426 179.852 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 96.7 p -62.35 -40.76 97.47 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 120.668 -0.413 . . . . 0.0 110.529 -179.502 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 29.3 mm100 -69.23 -37.99 78.29 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.933 179.38 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 50' ' ' PHE . . . . . 0.417 ' CZ ' ' NE2' ' B' ' 54' ' ' GLN . 59.4 t80 -59.3 -49.25 78.54 Favored 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 120.762 -0.375 . . . . 0.0 110.639 -179.296 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 63.3 ttm-85 -61.3 -45.05 96.08 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 120.699 -0.4 . . . . 0.0 110.189 179.72 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -61.29 -41.21 96.57 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 179.548 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 53' ' ' PHE . . . . . . . . . . . . . 91.2 t80 -58.98 -46.19 88.72 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.106 179.678 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 54' ' ' GLN . . . . . 0.417 ' NE2' ' CZ ' ' B' ' 50' ' ' PHE . 91.4 mt-30 -61.9 -40.4 95.32 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.098 -179.798 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 55' ' ' LYS . . . . . 0.424 ' HD2' HE22 ' B' ' 61' ' ' GLN . 19.1 mmmt -61.94 -41.92 98.51 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.774 0.321 . . . . 0.0 110.967 -179.242 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 50.6 mtpt -67.28 -34.69 77.92 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.817 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 16.9 mmmt -60.31 -40.14 89.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.43 -179.019 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.88 -45.6 93.94 Favored 'General case' 0 C--N 1.332 -0.18 0 C-N-CA 120.395 -0.522 . . . . 0.0 110.611 -179.584 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 59.05 32.36 70.85 Favored Glycine 0 CA--C 1.527 0.815 0 C-N-CA 121.145 -0.55 . . . . 0.0 111.878 178.8 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 32.1 t -141.81 34.08 1.59 Allowed 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.39 -0.524 . . . . 0.0 111.628 -179.526 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 61' ' ' GLN . . . . . 0.424 HE22 ' HD2' ' B' ' 55' ' ' LYS . 97.6 mt-30 -115.85 13.35 16.04 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.947 179.457 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.22 -0.495 0 CA-C-O 118.059 -0.972 . . . . 0.0 110.552 179.795 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 26.0 ttt . . . . . 0 N--CA 1.49 1.555 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 64.6 tttm -122.17 121.45 36.9 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.061 179.806 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -132.81 170.21 15.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.537 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.489 ' O ' ' C ' ' A' ' 80' ' ' ASP . 0.2 OUTLIER -42.17 -76.26 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.295 -179.97 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.489 ' C ' ' O ' ' A' ' 79' ' ' THR . 49.9 p-10 -16.12 120.96 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.529 0 O-C-N 124.054 0.846 . . . . 0.0 112.388 -179.235 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 68.7 m -81.04 -6.46 58.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.532 -0.758 . . . . 0.0 111.255 -179.506 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 3.2 pp20? -53.98 -31.7 51.67 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.184 0.516 . . . . 0.0 110.048 -179.758 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 24.2 pt-20 -69.88 -36.14 75.22 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.186 179.316 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -62.27 -47.49 84.12 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.551 -179.763 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 4.1 mm -65.28 -39.06 84.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 121.293 0.568 . . . . 0.0 109.491 178.651 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 79.9 ttt180 -59.64 -36.81 77.11 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.051 -0.977 . . . . 0.0 110.722 179.859 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -57.02 -41.21 78.15 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.831 -0.433 . . . . 0.0 109.831 -179.467 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -59.86 -34.63 73.37 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.549 179.324 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.402 ' O ' ' N ' ' A' ' 92' ' ' PHE . 60.7 m-85 -73.63 -41.6 62.56 Favored 'General case' 0 C--N 1.332 -0.184 0 C-N-CA 120.469 -0.492 . . . . 0.0 110.194 178.074 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -43.08 -30.11 0.41 Allowed 'General case' 0 CA--C 1.52 -0.179 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.129 -179.203 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 53.1 t -61.94 -41.26 90.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.706 179.616 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.427 ' CD1' ' OE1' ' A' ' 104' ' ' GLU . 23.1 m-85 -82.52 -27.72 31.54 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.495 -0.482 . . . . 0.0 110.056 179.461 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 67.9 t0 -92.02 96.51 10.39 Favored 'General case' 0 C--N 1.333 -0.13 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 178.802 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 60.8 mttt -97.87 -17.28 19.37 Favored 'General case' 0 CA--C 1.514 -0.43 0 CA-C-O 121.096 0.474 . . . . 0.0 110.1 -179.261 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 74.1 m-20 -80.49 -26.95 37.9 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.49 -0.777 . . . . 0.0 109.306 179.023 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 69.66 30.79 70.56 Favored Glycine 0 CA--C 1.523 0.536 0 N-CA-C 110.327 -1.109 . . . . 0.0 110.327 -179.663 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -94.86 -1.35 52.88 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 121.109 -0.236 . . . . 0.0 110.723 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' GLY . . . . . 0.415 ' C ' ' CD1' ' A' ' 99' ' ' TYR . . . 93.64 10.37 59.14 Favored Glycine 0 CA--C 1.529 0.91 0 C-N-CA 120.918 -0.658 . . . . 0.0 111.652 179.823 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.447 ' CD1' ' N ' ' A' ' 99' ' ' TYR . 17.8 m-85 -137.01 158.22 44.95 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-O 121.205 0.526 . . . . 0.0 112.239 -179.497 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.4 HG21 HD13 ' A' ' 100' ' ' ILE . 0.6 OUTLIER -130.41 146.38 34.13 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.093 0 N-CA-C 107.42 -1.326 . . . . 0.0 107.42 177.335 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 43.6 t -59.12 131.04 49.85 Favored 'General case' 0 C--N 1.323 -0.572 0 C-N-CA 119.685 -0.806 . . . . 0.0 109.986 -179.562 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.667 ' HB2' HG23 ' A' ' 136' ' ' VAL . . . -63.64 -36.9 85.36 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.126 0.488 . . . . 0.0 110.607 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -59.52 -41.98 91.22 Favored 'General case' 0 CA--C 1.535 0.388 0 N-CA-C 112.772 0.656 . . . . 0.0 112.772 -178.012 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.502 ' O ' HG23 ' A' ' 108' ' ' VAL . 0.7 OUTLIER -66.48 -28.66 68.75 Favored 'General case' 0 N--CA 1.465 0.299 0 C-N-CA 120.261 -0.576 . . . . 0.0 110.686 -179.289 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 1.8 tt -61.9 -48.58 79.81 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.064 -179.729 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.547 ' CD ' HG11 ' A' ' 121' ' ' VAL . 14.5 tpt180 -55.9 -51.08 68.88 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.421 -179.812 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 107' ' ' HIS . . . . . 0.612 ' CD2' ' CE2' ' B' ' 30' ' ' PHE . 81.3 t60 -64.63 -47.72 77.5 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.18 0.514 . . . . 0.0 111.637 179.551 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.502 HG23 ' O ' ' A' ' 104' ' ' GLU . 53.1 t -62.45 -39.19 83.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.717 -0.674 . . . . 0.0 112.815 -178.707 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.11 -29.56 65.41 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 120.681 -0.408 . . . . 0.0 111.608 -179.378 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.664 ' CG2' HG21 ' A' ' 121' ' ' VAL . 57.2 p -105.55 -13.2 15.68 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 112.474 0.546 . . . . 0.0 112.474 -178.092 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 111' ' ' ASN . . . . . 0.575 ' ND2' ' CE1' ' A' ' 107' ' ' HIS . 65.0 t30 -104.15 -38.23 7.0 Favored 'General case' 0 N--CA 1.464 0.261 0 N-CA-C 112.051 0.389 . . . . 0.0 112.051 -179.348 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.878 HD11 ' SD ' ' B' ' 34' ' ' MET . 84.5 mt -111.21 -178.69 3.52 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.194 0.521 . . . . 0.0 111.476 -179.128 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 64.27 -123.37 27.57 Favored Glycine 0 CA--C 1.525 0.673 0 CA-C-N 115.322 -0.854 . . . . 0.0 112.679 178.836 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 114' ' ' GLU . . . . . 0.427 ' O ' ' O ' ' A' ' 115' ' ' LYS . 98.6 mt-10 -100.92 12.81 36.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.009 0.433 . . . . 0.0 111.196 -179.046 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.427 ' O ' ' O ' ' A' ' 114' ' ' GLU . 92.7 mttt 48.99 103.31 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.641 -0.708 . . . . 0.0 111.023 179.795 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.577 HD12 ' HB3' ' A' ' 120' ' ' GLU . 4.5 mm? -92.79 157.73 16.26 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.096 179.821 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 117' ' ' THR . . . . . 0.478 ' O ' HG23 ' A' ' 121' ' ' VAL . 69.2 p -91.53 169.87 10.4 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 109.697 -0.483 . . . . 0.0 109.697 178.903 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -59.56 -39.99 85.84 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.754 -0.378 . . . . 0.0 110.583 -179.565 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 53.2 tp10 -62.27 -43.25 99.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.34 179.818 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 120' ' ' GLU . . . . . 0.577 ' HB3' HD12 ' A' ' 116' ' ' LEU . 77.6 mm-40 -67.94 -41.41 82.56 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.002 0.429 . . . . 0.0 110.302 179.134 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.664 HG21 ' CG2' ' A' ' 110' ' ' THR . 71.2 t -66.07 -44.04 92.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.569 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 68.1 t0 -57.59 -42.76 83.83 Favored 'General case' 0 C--N 1.323 -0.548 0 C-N-CA 120.226 -0.59 . . . . 0.0 109.949 -178.714 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 53.7 tp10 -62.05 -39.53 92.69 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 178.847 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 124' ' ' MET . . . . . 0.615 ' SD ' ' CD1' ' B' ' 50' ' ' PHE . 47.4 mmm -64.87 -39.46 93.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.053 179.099 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 125' ' ' ILE . . . . . 0.539 HD13 HG12 ' A' ' 121' ' ' VAL . 0.8 OUTLIER -61.87 -40.49 87.28 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.148 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.055 -179.275 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 12.6 tpt180 -60.98 -30.1 70.07 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.043 0.449 . . . . 0.0 109.811 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 -96.4 -1.8 46.87 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.402 179.094 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.438 ' O ' ' OD1' ' A' ' 129' ' ' ASP . . . -90.42 -78.75 0.37 Allowed 'General case' 0 CA--C 1.531 0.223 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.178 -179.299 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 129' ' ' ASP . . . . . 0.438 ' OD1' ' O ' ' A' ' 128' ' ' ALA . 3.7 m-20 166.59 -92.67 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.505 0 CA-C-O 120.872 0.367 . . . . 0.0 111.849 179.77 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 130' ' ' ILE . . . . . 0.716 ' O ' HG22 ' A' ' 130' ' ' ILE . 96.1 mt 58.71 55.74 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.268 -177.688 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 65.5 t0 -82.92 68.2 9.31 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 179.287 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 43.72 28.81 1.18 Allowed Glycine 0 CA--C 1.523 0.577 0 N-CA-C 110.263 -1.135 . . . . 0.0 110.263 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -127.65 -20.46 3.94 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.575 0.226 . . . . 0.0 111.464 -179.39 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 76.2 23.68 70.66 Favored Glycine 0 CA--C 1.529 0.91 0 C-N-CA 120.861 -0.685 . . . . 0.0 112.245 179.446 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 16.1 pt20 -125.41 149.51 48.11 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-O 121.178 0.513 . . . . 0.0 110.868 179.535 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 136' ' ' VAL . . . . . 0.667 HG23 ' HB2' ' A' ' 102' ' ' ALA . 25.4 t -132.49 134.65 58.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 115.368 -0.833 . . . . 0.0 111.995 -179.097 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 137' ' ' ASN . . . . . 0.612 ' O ' ' ND2' ' A' ' 137' ' ' ASN . 0.5 OUTLIER -91.08 111.18 22.54 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.694 -0.685 . . . . 0.0 109.525 178.731 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 39.0 p90 -63.23 -8.7 8.86 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.568 -0.453 . . . . 0.0 111.583 -178.703 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 74.0 mm-40 -59.89 -49.83 76.14 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 120.156 -0.618 . . . . 0.0 110.978 -179.346 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 75.7 mm-40 -61.05 -39.37 89.58 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 120.709 0.29 . . . . 0.0 111.384 -179.102 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -63.03 -42.83 99.86 Favored 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 120.488 -0.485 . . . . 0.0 110.201 179.156 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 142' ' ' VAL . . . . . 0.413 ' O ' ' N ' ' A' ' 146' ' ' THR . 55.1 t -64.14 -39.2 84.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.599 179.021 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 143' ' ' GLN . . . . . 0.445 ' O ' ' N ' ' A' ' 147' ' ' ALA . 28.8 mm100 -59.89 -43.07 95.01 Favored 'General case' 0 C--N 1.331 -0.201 0 C-N-CA 120.234 -0.587 . . . . 0.0 109.587 179.714 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 73.3 mtm -61.27 -42.71 99.11 Favored 'General case' 0 C--N 1.333 -0.122 0 C-N-CA 119.979 -0.688 . . . . 0.0 109.158 178.748 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 56.3 mtt -73.82 -20.49 60.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.597 -0.729 . . . . 0.0 111.441 -179.859 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 146' ' ' THR . . . . . 0.413 ' N ' ' O ' ' A' ' 142' ' ' VAL . 2.1 m -111.44 9.14 21.39 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.967 -179.468 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 147' ' ' ALA . . . . . 0.445 ' N ' ' O ' ' A' ' 143' ' ' GLN . . . -107.36 76.62 1.09 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.45 179.793 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 2.8 mmtp . . . . . 0 C--O 1.22 -0.469 0 CA-C-O 118.038 -0.982 . . . . 0.0 110.482 -179.995 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 30' ' ' PHE . . . . . 0.612 ' CE2' ' CD2' ' A' ' 107' ' ' HIS . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.563 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 40.9 t0 -67.53 6.1 0.68 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.297 0.57 . . . . 0.0 109.558 179.055 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 32' ' ' ILE . . . . . 0.762 ' N ' HD12 ' B' ' 32' ' ' ILE . 1.9 mp -77.69 126.93 38.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.213 -0.903 . . . . 0.0 110.59 -179.737 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 33' ' ' ASP . . . . . 0.445 ' N ' ' OD1' ' B' ' 33' ' ' ASP . 13.7 p-10 -79.92 136.96 36.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.762 -179.858 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 34' ' ' MET . . . . . 0.878 ' SD ' HD11 ' A' ' 112' ' ' LEU . 15.3 mmt -102.64 -15.8 16.24 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.361 179.641 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -62.45 -39.77 94.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.565 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -67.06 131.55 93.73 Favored Pre-proline 0 CA--C 1.537 0.466 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.27 -179.826 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -70.92 -21.49 28.03 Favored 'Trans proline' 0 N--CA 1.493 1.442 0 C-N-CA 121.978 1.786 . . . . 0.0 112.691 -179.762 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -62.57 -40.31 96.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.926 -179.512 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 96.7 m -62.4 -45.15 94.42 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.548 -179.75 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -61.88 -43.53 98.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.154 179.802 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 18.2 mmm180 -63.4 -40.52 97.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.65 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -61.92 -40.75 96.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.584 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -61.86 -39.48 92.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.661 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 53.5 t -61.47 -45.17 99.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.473 -179.464 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -60.83 -46.98 88.42 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.627 -0.429 . . . . 0.0 111.032 -179.279 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 92.1 mt -67.32 -47.68 80.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 C-N-CA 120.82 -0.352 . . . . 0.0 111.166 179.811 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 77.1 mt-30 -65.52 -41.14 93.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.985 -179.741 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 48.2 t -62.4 -44.21 97.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.101 0.477 . . . . 0.0 110.061 179.537 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 72.2 tp60 -63.38 -38.34 90.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.501 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 50' ' ' PHE . . . . . 0.615 ' CD1' ' SD ' ' A' ' 124' ' ' MET . 44.9 t80 -58.71 -48.05 82.47 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.374 -179.173 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 83.2 mtp180 -61.24 -41.0 96.13 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.356 -0.538 . . . . 0.0 110.306 -179.747 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 65.2 tttp -62.14 -41.57 98.4 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 179.122 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 53' ' ' PHE . . . . . . . . . . . . . 90.2 t80 -59.34 -45.88 90.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.608 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 54' ' ' GLN . . . . . 0.4 ' NE2' ' OE1' ' A' ' 120' ' ' GLU . 87.5 mt-30 -61.29 -39.42 90.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.759 -179.396 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -61.02 -39.51 90.02 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.799 -0.361 . . . . 0.0 110.356 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 25.6 mmtp -62.1 -39.76 93.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.192 179.778 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 26.8 tptp -61.11 -43.16 99.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.165 179.822 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -80.7 8.21 8.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.694 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 59' ' ' GLY . . . . . 0.4 ' O ' ' CB ' ' B' ' 60' ' ' SER . . . -59.5 -39.38 94.86 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 110.835 -0.906 . . . . 0.0 110.835 -179.738 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 60' ' ' SER . . . . . 0.4 ' CB ' ' O ' ' B' ' 59' ' ' GLY . 1.5 t 76.58 79.91 0.09 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.213 0.53 . . . . 0.0 110.777 179.827 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 64.2 tt0 -61.54 -41.1 96.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.492 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 44.1 t . . . . . 0 C--O 1.22 -0.466 0 CA-C-O 117.996 -1.002 . . . . 0.0 110.553 179.979 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 17.6 mtm . . . . . 0 N--CA 1.49 1.557 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.15 154.97 41.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.655 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 53.5 p30 -83.69 -176.78 6.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.007 -179.721 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.426 HG23 ' O ' ' A' ' 79' ' ' THR . 7.7 t -56.68 128.08 34.64 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.535 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 68.3 t0 -105.8 110.03 22.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.768 -179.713 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 90.7 p -72.43 -8.71 56.47 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.445 179.654 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -53.25 -38.28 62.85 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 -179.582 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 22.1 pt-20 -64.0 -34.61 78.39 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.6 179.505 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -62.13 -47.9 82.54 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-O 120.916 0.388 . . . . 0.0 110.647 -179.374 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 4.3 mm -65.28 -38.39 82.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.042 -0.526 . . . . 0.0 109.827 179.045 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 42.1 ttm180 -59.3 -38.38 80.1 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.448 -0.796 . . . . 0.0 111.001 179.684 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 53.6 tp10 -56.64 -39.16 73.21 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 -179.625 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.54 -36.49 78.55 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.712 179.496 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 71.9 m-85 -75.88 -40.26 54.88 Favored 'General case' 0 C--N 1.332 -0.19 0 C-N-CA 120.686 -0.406 . . . . 0.0 110.69 178.625 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -49.31 -27.86 4.3 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.659 -178.318 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 55.1 t -61.41 -39.59 83.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 C-N-CA 121.063 -0.255 . . . . 0.0 110.782 179.102 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 28.8 m-85 -85.5 -22.47 28.17 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.649 -0.421 . . . . 0.0 111.079 -179.577 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 63.9 t0 -89.03 74.69 8.08 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 179.264 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 64.2 pttt -71.39 -28.21 63.87 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.925 0.393 . . . . 0.0 111.476 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -72.42 -25.84 61.63 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.83 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 69.36 27.16 73.89 Favored Glycine 0 CA--C 1.526 0.747 0 N-CA-C 110.625 -0.99 . . . . 0.0 110.625 -179.798 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -92.52 -3.01 55.78 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.677 0.275 . . . . 0.0 110.889 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 97.24 -5.67 63.17 Favored Glycine 0 CA--C 1.528 0.873 0 N-CA-C 111.433 -0.667 . . . . 0.0 111.433 -179.83 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.501 ' CD1' ' N ' ' A' ' 99' ' ' TYR . 12.8 m-85 -122.34 160.41 25.43 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.103 0.478 . . . . 0.0 111.378 -178.63 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -131.67 145.9 34.33 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 N-CA-C 108.079 -1.082 . . . . 0.0 108.079 178.527 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 68.8 m -57.52 130.02 44.44 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 120.028 -0.669 . . . . 0.0 110.448 -179.342 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.457 ' HB2' HG23 ' A' ' 136' ' ' VAL . . . -63.33 -39.72 95.34 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.118 0.485 . . . . 0.0 110.769 179.778 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -57.44 -42.93 83.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.683 -0.69 . . . . 0.0 109.734 -178.843 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 -60.03 -39.24 85.22 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.073 179.111 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 13.2 tp -59.58 -47.86 83.93 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.671 0.272 . . . . 0.0 110.456 -178.886 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.694 ' NH1' HG21 ' A' ' 110' ' ' THR . 44.9 tpt85 -57.05 -49.5 75.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.562 -0.29 . . . . 0.0 110.534 -179.367 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 107' ' ' HIS . . . . . 0.505 ' O ' ' N ' ' A' ' 111' ' ' ASN . 85.7 t60 -63.11 -49.12 75.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.105 0.479 . . . . 0.0 111.602 179.538 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 50.8 t -62.16 -38.63 81.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.691 -0.686 . . . . 0.0 112.658 -179.06 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' MET . . . . . 0.405 ' N ' ' SD ' ' A' ' 109' ' ' MET . 0.0 OUTLIER -68.97 -32.67 72.43 Favored 'General case' 0 C--N 1.321 -0.634 0 C-N-CA 120.723 -0.391 . . . . 0.0 111.377 -179.657 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.694 HG21 ' NH1' ' A' ' 106' ' ' ARG . 41.0 p -106.24 -12.06 15.84 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 112.648 0.61 . . . . 0.0 112.648 -177.799 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 111' ' ' ASN . . . . . 0.505 ' N ' ' O ' ' A' ' 107' ' ' HIS . 6.7 t-20 -103.88 -33.65 8.79 Favored 'General case' 0 N--CA 1.466 0.342 0 C-N-CA 120.701 -0.399 . . . . 0.0 112.051 -179.564 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.927 HD11 ' SD ' ' B' ' 34' ' ' MET . 84.2 mt -116.97 -177.76 3.28 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.403 0.621 . . . . 0.0 111.512 -178.795 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 62.45 -127.17 39.25 Favored Glycine 0 CA--C 1.526 0.721 0 CA-C-N 114.983 -1.008 . . . . 0.0 112.571 178.862 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 114' ' ' GLU . . . . . 0.485 ' N ' ' OE1' ' B' ' 47' ' ' GLN . 80.5 mm-40 -92.89 9.33 35.88 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.996 0.427 . . . . 0.0 111.22 -178.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 10.8 mmmt 52.39 100.09 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.452 179.549 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.635 HD12 ' HB3' ' A' ' 120' ' ' GLU . 4.5 mm? -90.93 156.36 18.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.28 179.858 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 67.6 p -92.66 171.01 9.28 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.8 -0.445 . . . . 0.0 109.8 178.862 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 118' ' ' ASP . . . . . 0.518 ' OD1' ' NH2' ' A' ' 106' ' ' ARG . 98.5 m-20 -60.28 -40.16 89.43 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 120.604 -0.438 . . . . 0.0 110.262 -179.866 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -61.4 -43.16 99.34 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.669 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 120' ' ' GLU . . . . . 0.635 ' HB3' HD12 ' A' ' 116' ' ' LEU . 14.4 mm-40 -69.35 -45.0 70.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.955 0.407 . . . . 0.0 110.728 179.406 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.704 HG12 HD13 ' A' ' 125' ' ' ILE . 82.8 t -64.85 -42.83 95.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.48 -179.444 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -49.79 -41.36 44.29 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 120.313 -0.555 . . . . 0.0 110.395 -177.721 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 78.9 mm-40 -66.55 -31.42 72.12 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.22 0.533 . . . . 0.0 109.78 178.686 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 94.6 mtp -76.06 -30.31 58.33 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.084 179.489 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 125' ' ' ILE . . . . . 0.704 HD13 HG12 ' A' ' 121' ' ' VAL . 1.0 OUTLIER -61.2 -41.6 90.16 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.149 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.965 -179.35 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 20.8 mmm-85 -61.79 -63.58 1.22 Allowed 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.228 -0.589 . . . . 0.0 110.142 -179.519 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 127' ' ' GLU . . . . . 0.436 ' O ' ' OE2' ' A' ' 140' ' ' GLU . 79.9 mm-40 -60.07 -6.96 1.56 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.434 -178.644 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.596 ' HB1' ' CG2' ' A' ' 136' ' ' VAL . . . -77.9 -75.66 0.21 Allowed 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.834 -0.347 . . . . 0.0 110.887 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 129' ' ' ASP . . . . . 0.464 ' CG ' ' N ' ' A' ' 130' ' ' ILE . 2.4 t70 162.91 -85.05 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.35 0 CA-C-O 121.425 0.631 . . . . 0.0 110.616 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 130' ' ' ILE . . . . . 0.464 ' N ' ' CG ' ' A' ' 129' ' ' ASP . 0.5 OUTLIER 36.52 42.71 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 114.956 -1.02 . . . . 0.0 110.982 -179.056 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -60.86 -39.41 89.03 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 179.088 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 132' ' ' GLY . . . . . 0.42 ' O ' ' OD1' ' A' ' 133' ' ' ASP . . . 165.67 31.56 0.02 OUTLIER Glycine 0 CA--C 1.522 0.517 0 N-CA-C 110.578 -1.009 . . . . 0.0 110.578 179.798 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 133' ' ' ASP . . . . . 0.42 ' OD1' ' O ' ' A' ' 132' ' ' GLY . 97.3 m-20 -136.28 -10.81 1.94 Allowed 'General case' 0 CA--C 1.53 0.179 0 C-N-CA 120.92 -0.312 . . . . 0.0 111.238 179.633 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 70.8 32.88 66.51 Favored Glycine 0 CA--C 1.528 0.863 0 C-N-CA 120.985 -0.626 . . . . 0.0 112.476 179.185 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 135' ' ' GLN . . . . . 0.42 ' O ' ' OD2' ' A' ' 129' ' ' ASP . 1.0 OUTLIER -128.72 151.0 50.03 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 121.353 0.597 . . . . 0.0 111.288 179.59 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 136' ' ' VAL . . . . . 0.596 ' CG2' ' HB1' ' A' ' 128' ' ' ALA . 27.3 t -132.45 134.06 59.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.187 -0.915 . . . . 0.0 111.949 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 51.7 t30 -91.99 110.94 22.31 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 108.645 -0.872 . . . . 0.0 108.645 178.663 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 33.2 p90 -65.0 -10.11 26.95 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 112.659 0.614 . . . . 0.0 112.659 -178.182 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -60.86 -50.5 73.19 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 119.984 -0.686 . . . . 0.0 111.793 -178.654 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 140' ' ' GLU . . . . . 0.436 ' OE2' ' O ' ' A' ' 127' ' ' GLU . 20.9 pt-20 -63.52 -36.91 85.35 Favored 'General case' 0 N--CA 1.465 0.286 0 C-N-CA 120.616 -0.434 . . . . 0.0 111.187 -178.904 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -62.1 -47.08 86.21 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 178.583 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 142' ' ' VAL . . . . . 0.426 ' O ' ' N ' ' A' ' 146' ' ' THR . 59.4 t -62.97 -43.88 99.32 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.796 179.537 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -62.13 -40.95 97.64 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 108.442 -0.947 . . . . 0.0 108.442 178.891 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 2.0 ttp -63.75 -48.25 77.73 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.106 -0.952 . . . . 0.0 109.551 178.13 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 62.4 mtt -70.0 -28.68 65.71 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.424 179.794 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 146' ' ' THR . . . . . 0.426 ' N ' ' O ' ' A' ' 142' ' ' VAL . 3.7 m -95.15 23.57 5.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.957 0.408 . . . . 0.0 110.109 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 147' ' ' ALA . . . . . 0.467 ' O ' ' CB ' ' A' ' 148' ' ' LYS . . . -140.21 173.73 11.22 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.126 -179.798 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 148' ' ' LYS . . . . . 0.467 ' CB ' ' O ' ' A' ' 147' ' ' ALA . 9.6 tptp . . . . . 0 C--O 1.22 -0.46 0 CA-C-O 118.023 -0.989 . . . . 0.0 110.518 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 30' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 . . . . . 0 N--CA 1.49 1.533 0 N-CA-C 109.268 -0.641 . . . . 0.0 109.268 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 67.5 m-20 59.02 32.65 22.45 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 121.198 0.523 . . . . 0.0 109.612 -178.916 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 59.2 mt -127.67 125.01 64.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.327 -0.851 . . . . 0.0 110.413 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -71.94 138.21 47.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.88 0.372 . . . . 0.0 111.125 -179.819 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 34' ' ' MET . . . . . 0.927 ' SD ' HD11 ' A' ' 112' ' ' LEU . 25.5 mmt -97.67 -2.03 42.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.176 179.184 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -90.44 1.22 56.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.107 -179.237 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -92.35 112.09 53.64 Favored Pre-proline 0 CA--C 1.539 0.53 0 CA-C-N 116.548 -0.297 . . . . 0.0 110.669 -179.665 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_exo -52.26 -35.12 62.57 Favored 'Trans proline' 0 N--CA 1.497 1.718 0 C-N-CA 121.778 1.652 . . . . 0.0 112.197 179.288 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 78.8 mm-40 -61.23 -40.21 93.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.455 -179.366 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 97.2 m -61.82 -46.44 89.47 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.77 -0.372 . . . . 0.0 110.262 179.792 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -64.49 -40.44 95.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.529 179.627 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 30.9 mmt180 -63.57 -39.93 95.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.548 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -61.48 -40.66 95.34 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.263 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -61.95 -40.45 95.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.737 179.787 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 57.8 t -61.4 -47.75 91.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.338 -179.381 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 45' ' ' ALA . . . . . 0.455 ' O ' ' OE1' ' B' ' 49' ' ' GLN . . . -62.38 -45.1 94.69 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.775 -0.37 . . . . 0.0 111.063 -179.531 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 93.8 mt -63.06 -46.96 94.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-O 120.924 0.392 . . . . 0.0 110.498 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 47' ' ' GLN . . . . . 0.485 ' OE1' ' N ' ' A' ' 114' ' ' GLU . 76.7 mt-30 -65.76 -37.96 87.76 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.835 -0.62 . . . . 0.0 111.387 179.492 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 48' ' ' SER . . . . . 0.52 ' OG ' ' NZ ' ' B' ' 52' ' ' LYS . 48.4 t -59.53 -45.95 90.28 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.769 -0.373 . . . . 0.0 110.642 -179.291 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 49' ' ' GLN . . . . . 0.455 ' OE1' ' O ' ' B' ' 45' ' ' ALA . 7.3 mp0 -64.96 -36.15 83.48 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.785 -0.366 . . . . 0.0 111.068 179.488 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 59.3 t80 -59.06 -47.8 83.93 Favored 'General case' 0 C--N 1.332 -0.159 0 C-N-CA 120.481 -0.488 . . . . 0.0 110.085 179.808 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 51' ' ' ARG . . . . . 0.437 ' HE ' ' HZ3' ' B' ' 55' ' ' LYS . 82.0 mtp180 -62.17 -40.45 96.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.929 0.395 . . . . 0.0 110.273 179.645 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 52' ' ' LYS . . . . . 0.52 ' NZ ' ' OG ' ' B' ' 48' ' ' SER . 62.7 mttp -63.98 -38.52 91.37 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.953 179.55 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 53' ' ' PHE . . . . . . . . . . . . . 68.1 t80 -59.31 -49.02 79.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.297 -178.854 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 17.9 pt20 -71.35 -38.14 71.62 Favored 'General case' 0 C--N 1.331 -0.212 0 C-N-CA 120.613 -0.435 . . . . 0.0 111.546 -179.445 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 55' ' ' LYS . . . . . 0.437 ' HZ3' ' HE ' ' B' ' 51' ' ' ARG . 62.1 mttp -63.89 -40.1 95.73 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 120.642 -0.423 . . . . 0.0 110.838 179.415 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 61.6 mmtt -62.72 -39.8 95.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.27 179.703 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 64.5 tttm -61.03 -43.92 98.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.242 179.751 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -102.01 55.64 0.8 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.603 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . -60.88 -40.05 97.76 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 110.696 -0.962 . . . . 0.0 110.696 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 74.3 m -62.06 -39.64 93.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.744 0.307 . . . . 0.0 110.341 179.806 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 49.6 tt0 60.66 89.92 0.07 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.585 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 73.5 p . . . . . 0 C--O 1.22 -0.469 0 CA-C-O 118.032 -0.985 . . . . 0.0 110.523 179.975 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 63.7 tpp . . . . . 0 N--CA 1.491 1.599 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 58.6 mtpt -131.57 -124.64 0.2 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.602 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 59.0 p30 -97.88 13.74 29.59 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.557 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 57.6 p -47.62 109.08 0.19 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.883 0.373 . . . . 0.0 110.224 -179.739 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.419 ' O ' ' CG ' ' A' ' 83' ' ' GLU . 97.8 m-20 -113.65 154.94 26.41 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.952 -179.644 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 70.9 m -82.51 -5.84 58.96 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.724 179.422 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.475 ' CD ' ' N ' ' A' ' 83' ' ' GLU . 3.2 pp20? -58.45 -35.2 71.78 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 120.271 -0.572 . . . . 0.0 109.831 179.892 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.475 ' N ' ' CD ' ' A' ' 82' ' ' GLU . 0.5 OUTLIER -68.3 -36.28 79.09 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.51 179.198 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -62.51 -41.37 98.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.081 0.467 . . . . 0.0 109.94 179.515 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 38.5 mm -64.81 -42.42 94.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.381 179.278 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -59.88 -36.05 76.12 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.143 -179.648 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -55.87 -40.29 72.74 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.4 -36.87 81.5 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.568 178.901 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 68.8 m-85 -75.75 -42.78 49.48 Favored 'General case' 0 C--O 1.231 0.118 0 C-N-CA 120.567 -0.453 . . . . 0.0 110.529 178.683 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -48.21 -24.27 1.11 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.5 -178.62 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 55.3 t -62.34 -39.46 84.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-O 120.709 0.29 . . . . 0.0 110.466 178.588 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 27.0 m-85 -87.68 -26.54 22.94 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.367 -0.378 . . . . 0.0 110.874 -179.695 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 45.4 t0 -88.71 71.4 8.75 Favored 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 179.254 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 26.4 pttm -71.1 -20.13 62.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.857 0.361 . . . . 0.0 111.738 -179.695 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -80.0 -26.55 39.85 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.502 179.77 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 69.14 29.42 72.18 Favored Glycine 0 CA--C 1.526 0.742 0 N-CA-C 110.642 -0.983 . . . . 0.0 110.642 -179.806 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' ASN . . . . . 0.423 ' OD1' ' N ' ' A' ' 99' ' ' TYR . 54.8 p30 -94.71 -0.51 54.25 Favored 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 120.972 -0.291 . . . . 0.0 110.663 179.571 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 92.94 8.55 61.71 Favored Glycine 0 CA--C 1.529 0.939 0 C-N-CA 121.129 -0.558 . . . . 0.0 111.866 179.627 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.457 ' CD1' ' N ' ' A' ' 99' ' ' TYR . 16.9 m-85 -136.22 158.16 45.08 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-O 121.076 0.465 . . . . 0.0 111.5 -179.841 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -131.34 146.49 33.64 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.111 0 N-CA-C 108.031 -1.1 . . . . 0.0 108.031 178.168 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 36.2 t -59.06 130.29 46.27 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 119.794 -0.763 . . . . 0.0 110.158 -179.761 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.716 ' HB2' HG23 ' A' ' 136' ' ' VAL . . . -64.06 -38.4 90.94 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.918 0.39 . . . . 0.0 110.951 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -60.34 -41.57 93.89 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.092 -0.504 . . . . 0.0 112.283 -178.403 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.623 ' O ' HG23 ' A' ' 108' ' ' VAL . 4.3 pt-20 -69.08 -31.02 69.46 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.455 -0.498 . . . . 0.0 110.522 -179.16 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 4.1 tt -61.32 -49.23 77.83 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.2 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.435 ' HE ' HG11 ' A' ' 121' ' ' VAL . 0.0 OUTLIER -57.13 -51.03 70.93 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 120.611 -0.435 . . . . 0.0 110.255 -179.77 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 107' ' ' HIS . . . . . 0.497 ' O ' ' N ' ' A' ' 111' ' ' ASN . 78.1 t60 -59.54 -46.57 88.5 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.25 0.547 . . . . 0.0 110.419 179.279 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.623 HG23 ' O ' ' A' ' 104' ' ' GLU . 58.0 t -62.77 -39.37 84.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 115.396 -0.82 . . . . 0.0 111.313 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.74 -29.67 64.78 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.901 -0.591 . . . . 0.0 111.804 -179.64 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.492 ' CG2' HG21 ' A' ' 121' ' ' VAL . 64.1 p -104.88 -15.61 15.12 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 112.275 0.472 . . . . 0.0 112.275 -178.392 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 111' ' ' ASN . . . . . 0.497 ' N ' ' O ' ' A' ' 107' ' ' HIS . 2.7 t-20 -106.16 -26.51 11.55 Favored 'General case' 0 N--CA 1.465 0.291 0 N-CA-C 112.29 0.478 . . . . 0.0 112.29 -178.9 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 77.6 mt -121.86 -178.26 3.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.395 0.617 . . . . 0.0 111.67 -178.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 61.7 -123.66 32.37 Favored Glycine 0 CA--C 1.524 0.614 0 CA-C-N 114.897 -1.047 . . . . 0.0 112.381 178.892 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 114' ' ' GLU . . . . . 0.5 ' N ' ' OE1' ' B' ' 47' ' ' GLN . 79.6 mm-40 -97.15 12.32 33.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.813 0.339 . . . . 0.0 111.23 -179.106 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.457 ' O ' ' O ' ' A' ' 114' ' ' GLU . 51.3 mttp 47.58 104.1 0.0 OUTLIER 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.749 -0.659 . . . . 0.0 111.043 179.544 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.621 HD12 ' HB3' ' A' ' 120' ' ' GLU . 4.5 mm? -92.57 156.14 17.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.245 179.891 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 117' ' ' THR . . . . . 0.61 ' O ' HG23 ' A' ' 121' ' ' VAL . 69.9 p -91.7 170.4 9.94 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 109.835 -0.432 . . . . 0.0 109.835 179.292 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -59.04 -41.5 88.0 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.747 -0.381 . . . . 0.0 110.763 -179.072 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -63.14 -42.58 99.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.577 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 120' ' ' GLU . . . . . 0.621 ' HB3' HD12 ' A' ' 116' ' ' LEU . 76.3 mm-40 -67.09 -39.64 86.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.279 0.561 . . . . 0.0 109.727 178.658 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.61 HG23 ' O ' ' A' ' 117' ' ' THR . 51.6 t -61.06 -44.69 98.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.182 -0.917 . . . . 0.0 110.765 179.659 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -57.96 -42.14 84.33 Favored 'General case' 0 C--N 1.32 -0.685 0 C-N-CA 120.319 -0.552 . . . . 0.0 109.804 -179.467 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -63.11 -40.07 96.54 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 178.689 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 124' ' ' MET . . . . . 0.601 ' SD ' ' CD1' ' B' ' 50' ' ' PHE . 36.5 mmm -65.34 -41.15 94.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.055 -0.975 . . . . 0.0 110.702 -179.882 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 125' ' ' ILE . . . . . 0.454 HD13 HG12 ' A' ' 121' ' ' VAL . 0.9 OUTLIER -68.13 -34.87 69.06 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.155 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.658 -179.717 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 61.6 ttp180 -60.34 -33.77 72.89 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.067 0.461 . . . . 0.0 110.355 179.866 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 -96.42 -3.49 43.42 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.0 179.448 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.404 ' O ' ' CG ' ' A' ' 129' ' ' ASP . . . -86.3 -75.61 0.38 Allowed 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 112.048 0.388 . . . . 0.0 112.048 -178.607 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 129' ' ' ASP . . . . . 0.404 ' CG ' ' O ' ' A' ' 128' ' ' ALA . 1.0 OUTLIER 168.97 -90.26 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.442 0 CA-C-O 121.128 0.489 . . . . 0.0 112.267 -179.818 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 130' ' ' ILE . . . . . 0.729 ' O ' HG22 ' A' ' 130' ' ' ILE . 68.9 mt 38.43 43.64 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.929 -177.843 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 68.3 t0 -59.47 -43.53 93.21 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 108.344 -0.984 . . . . 0.0 108.344 178.899 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 168.28 25.34 0.02 OUTLIER Glycine 0 CA--C 1.521 0.46 0 N-CA-C 110.114 -1.194 . . . . 0.0 110.114 179.607 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 67.1 m-20 -117.13 -23.83 7.77 Favored 'General case' 0 C--O 1.231 0.108 0 N-CA-C 111.797 0.295 . . . . 0.0 111.797 -179.755 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 82.88 14.53 75.07 Favored Glycine 0 CA--C 1.529 0.953 0 C-N-CA 120.711 -0.757 . . . . 0.0 111.995 179.589 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 12.0 pt20 -125.68 151.47 46.53 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-O 121.119 0.485 . . . . 0.0 110.633 179.249 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 136' ' ' VAL . . . . . 0.716 HG23 ' HB2' ' A' ' 102' ' ' ALA . 43.9 t -128.12 134.46 65.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.455 -0.793 . . . . 0.0 111.84 -178.809 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 137' ' ' ASN . . . . . 0.44 ' OD1' ' O ' ' A' ' 137' ' ' ASN . 37.6 p-10 -93.08 110.71 22.19 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.574 178.491 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 37.8 p90 -60.96 -7.6 2.56 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.79 -0.364 . . . . 0.0 111.813 -178.783 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -59.94 -49.64 76.88 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 120.028 -0.669 . . . . 0.0 110.581 -179.28 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -60.55 -42.09 95.85 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 121.01 -0.276 . . . . 0.0 111.057 -179.229 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -59.63 -47.69 84.6 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 179.122 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 54.3 t -62.93 -44.43 99.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.099 179.424 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -61.86 -40.34 95.0 Favored 'General case' 0 N--CA 1.454 -0.238 0 N-CA-C 108.315 -0.995 . . . . 0.0 108.315 178.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 5.9 ttp -62.01 -47.9 82.7 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 114.813 -1.085 . . . . 0.0 109.701 178.132 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 64.9 mtt -70.55 -22.77 62.56 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 112.002 0.371 . . . . 0.0 112.002 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 76.3 p -101.15 22.31 12.55 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 121.0 -0.28 . . . . 0.0 110.741 -179.395 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -106.68 68.58 0.75 Allowed 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 178.877 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 4.6 tmtp? . . . . . 0 C--O 1.219 -0.521 0 CA-C-O 118.053 -0.975 . . . . 0.0 110.457 -179.332 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 30' ' ' PHE . . . . . 0.468 ' CD1' ' N ' ' B' ' 30' ' ' PHE . 0.6 OUTLIER . . . . . 0 N--CA 1.49 1.534 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -92.62 1.61 57.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.367 179.82 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 32' ' ' ILE . . . . . 0.436 ' H ' HG23 ' B' ' 32' ' ' ILE . 1.5 pt -61.59 170.86 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.39 -179.446 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 65.5 m-20 -85.95 83.71 7.72 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 178.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 34' ' ' MET . . . . . . . . . . . . . 95.3 mtp -67.14 -27.78 67.59 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.829 -179.303 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 55.5 p30 -73.87 0.53 13.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.215 -179.775 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -90.35 113.7 58.44 Favored Pre-proline 0 CA--C 1.539 0.542 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.193 179.704 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 80.0 Cg_exo -50.54 -32.65 35.82 Favored 'Trans proline' 0 N--CA 1.498 1.772 0 C-N-CA 121.9 1.733 . . . . 0.0 112.305 179.289 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -60.87 -39.17 88.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.818 -179.424 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 93.9 m -61.9 -43.81 98.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.849 0.357 . . . . 0.0 110.388 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -61.98 -40.26 95.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.652 -179.61 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 31.7 mmt180 -63.2 -39.88 95.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.798 0.332 . . . . 0.0 110.28 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -61.87 -39.86 93.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.219 179.58 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -61.02 -39.58 90.31 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.624 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 57.5 t -61.34 -46.6 96.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.488 -179.381 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -61.36 -45.78 92.98 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.597 -0.441 . . . . 0.0 110.978 -179.417 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 92.2 mt -64.09 -47.42 90.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.853 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 47' ' ' GLN . . . . . 0.5 ' OE1' ' N ' ' A' ' 114' ' ' GLU . 77.3 mt-30 -66.24 -39.1 89.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.355 179.85 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 74.5 m -61.24 -42.28 98.34 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.863 -0.335 . . . . 0.0 110.6 -179.635 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 96.8 mm-40 -64.71 -39.18 93.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.464 179.604 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 50' ' ' PHE . . . . . 0.601 ' CD1' ' SD ' ' A' ' 124' ' ' MET . 47.3 t80 -58.97 -47.37 85.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.639 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 89.1 mtm180 -60.94 -40.3 92.75 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.587 -0.445 . . . . 0.0 110.042 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 62.9 mttp -65.32 -39.2 92.16 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.929 179.626 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 53' ' ' PHE . . . . . . . . . . . . . 71.8 t80 -60.28 -49.44 77.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.662 -178.818 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 -68.3 -28.14 66.92 Favored 'General case' 0 C--N 1.332 -0.192 0 C-N-CA 120.751 -0.38 . . . . 0.0 111.099 -179.532 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 17.6 mmmt -62.52 -38.85 91.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.901 0.382 . . . . 0.0 110.198 179.149 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -59.66 -44.66 93.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.59 179.806 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 20.9 tptm -61.11 -42.31 98.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 109.82 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.17 -39.85 91.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.444 179.811 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 81.23 -170.19 52.3 Favored Glycine 0 CA--C 1.526 0.733 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 60' ' ' SER . . . . . 0.409 ' O ' ' N ' ' B' ' 62' ' ' SER . 40.8 t -125.52 133.6 52.3 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.855 0.36 . . . . 0.0 110.498 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 1.3 tp-100 43.81 23.65 0.06 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.438 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 62' ' ' SER . . . . . 0.409 ' N ' ' O ' ' B' ' 60' ' ' SER . 30.2 t . . . . . 0 C--O 1.22 -0.494 0 CA-C-O 118.037 -0.982 . . . . 0.0 110.59 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 83.7 mmm . . . . . 0 N--CA 1.49 1.545 0 N-CA-C 109.182 -0.673 . . . . 0.0 109.182 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.76 ' O ' HG23 ' A' ' 79' ' ' THR . 64.5 mttp -86.17 126.53 34.31 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.7 -179.867 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.517 ' OD1' ' N ' ' A' ' 78' ' ' ASP . 11.5 p-10 -45.62 92.78 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.885 -179.606 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.76 HG23 ' O ' ' A' ' 77' ' ' LYS . 67.0 p -123.77 -32.46 3.3 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.133 179.116 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.465 ' O ' ' OD1' ' A' ' 80' ' ' ASP . 58.7 p30 -108.87 136.47 48.36 Favored 'General case' 0 CA--C 1.529 0.167 0 CA-C-O 121.221 0.534 . . . . 0.0 111.543 -179.461 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 67.5 m -83.64 -6.29 59.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.434 179.344 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -56.58 -39.25 73.21 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.368 -0.604 . . . . 0.0 109.368 -179.527 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.407 ' CG ' ' N ' ' A' ' 84' ' ' GLU . 22.8 pt-20 -64.47 -38.14 89.98 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.559 179.508 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.407 ' N ' ' CG ' ' A' ' 83' ' ' GLU . 98.0 mt-10 -62.9 -46.29 88.53 Favored 'General case' 0 C--O 1.232 0.143 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.436 -179.226 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 4.2 mm -67.77 -39.01 81.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 178.662 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 41.8 ttm180 -59.56 -37.53 78.7 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.076 -0.965 . . . . 0.0 110.434 179.288 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -56.27 -39.88 73.35 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.634 -179.645 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -59.44 -32.74 70.49 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.539 179.344 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.437 ' O ' ' OD1' ' A' ' 93' ' ' ASP . 84.4 m-85 -79.73 -38.92 32.27 Favored 'General case' 0 CA--C 1.53 0.18 0 C-N-CA 120.656 -0.418 . . . . 0.0 110.064 178.144 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -53.86 -25.73 21.19 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.715 -178.671 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 54.9 t -60.43 -38.35 77.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 178.41 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 10.0 m-85 -88.88 -24.19 22.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.305 179.762 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.534 ' N ' ' OD1' ' A' ' 93' ' ' ASP . 0.0 OUTLIER -86.36 75.08 9.86 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-O 121.335 0.588 . . . . 0.0 110.174 179.921 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 19.5 mtpt -92.29 -18.81 22.87 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 59.8 t0 -70.54 -28.45 64.93 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.499 -0.773 . . . . 0.0 109.489 178.828 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 72.29 18.8 78.37 Favored Glycine 0 CA--C 1.526 0.758 0 CA-C-N 115.63 -0.714 . . . . 0.0 111.329 179.385 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 52.1 p-10 -90.65 -3.87 57.2 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.701 -0.4 . . . . 0.0 111.384 -179.788 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 95.42 -6.64 68.36 Favored Glycine 0 CA--C 1.53 0.998 0 N-CA-C 111.489 -0.644 . . . . 0.0 111.489 179.79 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.469 ' CD1' ' N ' ' A' ' 99' ' ' TYR . 12.0 m-85 -123.5 161.24 25.28 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.05 0.452 . . . . 0.0 111.366 -178.663 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.463 HG22 ' OD1' ' A' ' 93' ' ' ASP . 0.2 OUTLIER -128.22 141.48 46.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 N-CA-C 107.584 -1.265 . . . . 0.0 107.584 177.889 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 70.8 m -60.08 135.65 57.78 Favored 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 119.807 -0.757 . . . . 0.0 110.034 -179.386 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.486 ' HB2' HG23 ' A' ' 136' ' ' VAL . . . -63.6 -36.79 84.97 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.081 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -60.13 -41.65 93.12 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 112.281 0.475 . . . . 0.0 112.281 -178.519 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.686 ' O ' HG23 ' A' ' 108' ' ' VAL . 4.7 pt-20 -68.21 -32.16 72.17 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.351 -0.54 . . . . 0.0 110.333 -179.34 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 2.7 tt -61.8 -47.86 83.23 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.634 -0.506 . . . . 0.0 109.634 179.356 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.529 ' NH1' HG21 ' A' ' 110' ' ' THR . 29.3 tpt85 -55.79 -50.59 70.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.212 -179.137 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 107' ' ' HIS . . . . . 0.616 ' CE1' ' ND2' ' A' ' 111' ' ' ASN . 82.7 t60 -63.28 -46.48 86.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.296 0.569 . . . . 0.0 110.882 179.08 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.686 HG23 ' O ' ' A' ' 104' ' ' GLU . 63.9 t -62.13 -41.75 92.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 115.178 -0.919 . . . . 0.0 111.884 -179.105 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.49 -28.29 62.8 Favored 'General case' 0 N--CA 1.465 0.322 0 N-CA-C 111.843 0.312 . . . . 0.0 111.843 -179.339 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.529 HG21 ' NH1' ' A' ' 106' ' ' ARG . 58.4 p -104.47 -16.25 15.13 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 120.679 -0.409 . . . . 0.0 111.97 -178.621 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 111' ' ' ASN . . . . . 0.616 ' ND2' ' CE1' ' A' ' 107' ' ' HIS . 57.6 t30 -108.75 -48.72 3.26 Favored 'General case' 0 N--CA 1.466 0.355 0 N-CA-C 112.642 0.608 . . . . 0.0 112.642 -178.736 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.541 HD13 HG22 ' B' ' 39' ' ' THR . 89.1 mt -92.98 139.29 30.68 Favored 'General case' 0 N--CA 1.465 0.325 0 N-CA-C 111.883 0.327 . . . . 0.0 111.883 -178.555 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 113' ' ' GLY . . . . . 0.566 ' O ' ' C ' ' A' ' 114' ' ' GLU . . . 57.23 125.34 0.01 OUTLIER Glycine 0 C--N 1.335 0.492 0 N-CA-C 111.352 -0.699 . . . . 0.0 111.352 178.653 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 114' ' ' GLU . . . . . 0.566 ' C ' ' O ' ' A' ' 113' ' ' GLY . 2.9 tt0 10.23 94.49 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.583 0 O-C-N 124.129 0.547 . . . . 0.0 110.836 179.729 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 62.6 mttp -53.77 136.83 39.33 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.695 -176.761 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.639 HD12 ' HB3' ' A' ' 120' ' ' GLU . 4.5 mm? -90.74 157.86 17.19 Favored 'General case' 0 CA--C 1.529 0.142 0 CA-C-N 115.657 -0.701 . . . . 0.0 109.125 178.75 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 117' ' ' THR . . . . . 0.431 ' O ' HG23 ' A' ' 121' ' ' VAL . 72.7 p -92.28 169.45 10.58 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 120.785 -0.366 . . . . 0.0 110.112 179.396 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 68.3 t0 -57.69 -42.82 84.41 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.93 -0.308 . . . . 0.0 110.834 -179.255 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 -62.39 -41.55 98.73 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.781 -0.368 . . . . 0.0 110.566 -179.767 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 120' ' ' GLU . . . . . 0.639 ' HB3' HD12 ' A' ' 116' ' ' LEU . 51.5 mt-10 -69.82 -40.25 76.02 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.1 178.78 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.471 HG21 ' CG2' ' A' ' 110' ' ' THR . 55.3 t -64.06 -45.61 96.13 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.254 0 CA-C-O 120.99 0.424 . . . . 0.0 110.66 178.752 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 122' ' ' ASP . . . . . 0.525 ' OD1' ' NH1' ' A' ' 126' ' ' ARG . 68.5 t0 -55.9 -43.18 77.03 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 120.354 -0.538 . . . . 0.0 110.288 -178.873 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 53.7 tp10 -62.06 -38.27 88.13 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.191 -0.67 . . . . 0.0 109.191 178.64 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 124' ' ' MET . . . . . 0.51 ' SD ' ' CE1' ' B' ' 50' ' ' PHE . 50.7 mmm -68.89 -39.06 79.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.931 179.492 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 1.2 mp -63.77 -37.42 79.65 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.222 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.019 -179.315 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 126' ' ' ARG . . . . . 0.525 ' NH1' ' OD1' ' A' ' 122' ' ' ASP . 82.1 mtt85 -66.0 -27.22 67.97 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.936 0.398 . . . . 0.0 110.576 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 -96.35 -6.14 38.33 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.2 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.621 ' HB1' HG21 ' A' ' 136' ' ' VAL . . . -84.99 -73.27 0.44 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.3 -179.073 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 129' ' ' ASP . . . . . 0.448 ' CB ' ' O ' ' A' ' 128' ' ' ALA . 1.5 m-20 161.89 -97.05 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.628 0 CA-C-O 120.824 0.345 . . . . 0.0 111.018 179.555 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 130' ' ' ILE . . . . . 0.711 HG22 ' N ' ' A' ' 131' ' ' ASP . 73.8 mt 60.43 -115.48 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.16 -178.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 131' ' ' ASP . . . . . 0.711 ' N ' HG22 ' A' ' 130' ' ' ILE . 7.9 t0 74.14 -25.03 0.2 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.622 -178.43 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 132' ' ' GLY . . . . . 0.536 ' H ' ' C ' ' A' ' 130' ' ' ILE . . . 171.57 -66.54 0.14 Allowed Glycine 0 CA--C 1.526 0.764 0 N-CA-C 111.482 -0.647 . . . . 0.0 111.482 179.716 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 133' ' ' ASP . . . . . 0.517 ' OD1' ' N ' ' A' ' 134' ' ' GLY . 56.8 p30 -50.44 -28.96 9.2 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 112.069 0.396 . . . . 0.0 112.069 -177.933 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 134' ' ' GLY . . . . . 0.517 ' N ' ' OD1' ' A' ' 133' ' ' ASP . . . 71.76 31.42 64.95 Favored Glycine 0 CA--C 1.532 1.1 0 C-N-CA 120.91 -0.662 . . . . 0.0 113.542 178.109 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -119.29 149.98 40.89 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 117.466 0.633 . . . . 0.0 109.645 178.291 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 136' ' ' VAL . . . . . 0.621 HG21 ' HB1' ' A' ' 128' ' ' ALA . 45.3 t -131.89 135.05 59.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 121.138 0.494 . . . . 0.0 111.945 -179.261 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -95.24 110.18 22.2 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.602 -0.727 . . . . 0.0 109.491 178.498 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 45.9 p90 -59.88 -11.27 5.14 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 120.606 -0.437 . . . . 0.0 111.598 -178.921 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -59.68 -50.04 75.4 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 119.705 -0.798 . . . . 0.0 109.956 -179.41 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -59.6 -41.69 90.9 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 120.913 -0.315 . . . . 0.0 110.636 -179.334 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 141' ' ' PHE . . . . . 0.536 ' O ' ' SD ' ' A' ' 145' ' ' MET . 3.6 m-85 -62.1 -41.52 98.29 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.323 -0.551 . . . . 0.0 109.884 178.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 53.3 t -63.35 -40.64 89.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 C-N-CA 120.333 -0.547 . . . . 0.0 110.129 178.884 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 143' ' ' GLN . . . . . 0.539 ' O ' ' HB2' ' A' ' 147' ' ' ALA . 86.5 mm-40 -60.79 -40.91 94.39 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 109.146 -0.687 . . . . 0.0 109.146 179.213 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 144' ' ' MET . . . . . 0.465 ' O ' ' CE1' ' B' ' 53' ' ' PHE . 71.7 mtp -60.62 -45.72 92.95 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.479 179.408 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 145' ' ' MET . . . . . 0.536 ' SD ' ' O ' ' A' ' 141' ' ' PHE . 0.0 OUTLIER -73.86 -14.02 61.01 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.954 -0.567 . . . . 0.0 111.33 -179.857 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 73.5 p -120.29 16.47 12.27 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.742 0.306 . . . . 0.0 110.25 179.526 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 147' ' ' ALA . . . . . 0.539 ' HB2' ' O ' ' A' ' 143' ' ' GLN . . . -108.48 71.94 0.81 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.118 -0.492 . . . . 0.0 109.851 179.235 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 1.3 mmtp . . . . . 0 C--O 1.22 -0.448 0 CA-C-O 117.984 -1.008 . . . . 0.0 110.437 -179.636 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 30' ' ' PHE . . . . . 0.542 ' N ' ' CD1' ' B' ' 30' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.596 0 N-CA-C 109.165 -0.679 . . . . 0.0 109.165 . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 65.7 t0 -88.15 72.65 9.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.835 -179.701 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 2.7 pt -135.95 162.49 36.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 N-CA-C 109.877 -0.416 . . . . 0.0 109.877 179.643 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -79.42 82.45 5.55 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 179.14 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 34' ' ' MET . . . . . 0.534 ' HE2' HD21 ' A' ' 112' ' ' LEU . 82.0 mtp -70.97 -17.28 62.67 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.821 -178.858 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 55.2 p30 -83.19 2.27 36.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.61 -179.201 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -101.73 148.31 35.09 Favored Pre-proline 0 CA--C 1.532 0.286 0 C-N-CA 120.764 -0.375 . . . . 0.0 110.442 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -68.7 -27.84 31.52 Favored 'Trans proline' 0 N--CA 1.492 1.423 0 C-N-CA 122.422 2.081 . . . . 0.0 112.599 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -63.16 -40.9 98.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.842 -179.756 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 39' ' ' THR . . . . . 0.541 HG22 HD13 ' A' ' 112' ' ' LEU . 97.3 m -62.44 -49.43 75.46 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.16 -179.441 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -66.52 -42.97 86.47 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.27 0.557 . . . . 0.0 109.727 179.292 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 29.1 tpt180 -61.51 -44.47 97.02 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.223 -0.899 . . . . 0.0 110.514 179.709 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -60.83 -40.13 91.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.412 -179.831 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -61.36 -41.77 97.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.281 179.779 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 59.4 t -63.15 -43.89 99.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.317 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -60.62 -46.31 90.77 Favored 'General case' 0 N--CA 1.463 0.211 0 C-N-CA 120.705 -0.398 . . . . 0.0 111.175 -179.054 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 91.4 mt -64.49 -46.3 93.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-O 121.154 0.502 . . . . 0.0 110.101 179.267 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 47' ' ' GLN . . . . . 0.453 ' OE1' ' O ' ' A' ' 113' ' ' GLY . 81.7 mt-30 -64.52 -41.25 96.51 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.422 -0.808 . . . . 0.0 111.544 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 75.1 m -61.9 -43.8 98.11 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.784 -0.366 . . . . 0.0 110.333 -179.411 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 8.2 tp-100 -67.48 -38.23 84.06 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 179.349 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 50' ' ' PHE . . . . . 0.51 ' CE1' ' SD ' ' A' ' 124' ' ' MET . 40.6 t80 -59.05 -48.03 83.06 Favored 'General case' 0 C--N 1.333 -0.114 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.128 -179.724 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 44.1 ttm180 -59.56 -45.24 92.41 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 120.618 -0.433 . . . . 0.0 110.358 -179.871 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 64.8 tttm -62.02 -40.45 95.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.055 0.455 . . . . 0.0 109.923 179.356 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 53' ' ' PHE . . . . . 0.465 ' CE1' ' O ' ' A' ' 144' ' ' MET . 86.5 t80 -58.8 -44.04 90.66 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.611 -179.869 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 54' ' ' GLN . . . . . 0.474 ' NE2' ' CZ ' ' B' ' 50' ' ' PHE . 91.4 mt-30 -59.99 -40.28 88.62 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.82 -179.119 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 62.5 mttp -62.17 -39.85 94.05 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.799 -0.36 . . . . 0.0 110.674 179.802 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 35.9 mmtm -62.53 -39.41 93.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.488 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 39.9 ttmt -60.74 -43.14 98.3 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.126 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.21 -39.89 91.94 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.424 179.833 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 59' ' ' GLY . . . . . 0.427 ' O ' ' O ' ' B' ' 60' ' ' SER . . . 94.13 -58.8 2.04 Favored Glycine 0 CA--C 1.525 0.656 0 N-CA-C 111.109 -0.797 . . . . 0.0 111.109 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 60' ' ' SER . . . . . 0.427 ' O ' ' O ' ' B' ' 59' ' ' GLY . 17.3 p 51.36 175.04 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.771 0.319 . . . . 0.0 110.526 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 61' ' ' GLN . . . . . 0.47 ' CD ' ' N ' ' B' ' 61' ' ' GLN . 3.3 mp0 -82.5 145.69 29.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.468 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 53.2 m . . . . . 0 C--O 1.22 -0.466 0 CA-C-O 117.994 -1.003 . . . . 0.0 110.587 179.983 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 65.9 mtt . . . . . 0 N--CA 1.49 1.546 0 N-CA-C 109.449 -0.574 . . . . 0.0 109.449 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 63.0 mttp -62.23 -39.56 93.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.566 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.522 ' O ' ' N ' ' A' ' 80' ' ' ASP . 96.5 m-20 -95.09 -39.14 10.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.096 179.465 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.477 ' O ' ' C ' ' A' ' 80' ' ' ASP . 1.8 m 62.89 -69.91 0.06 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.594 -179.876 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.522 ' N ' ' O ' ' A' ' 78' ' ' ASP . 99.6 m-20 -19.35 113.62 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.475 0 O-C-N 124.052 0.845 . . . . 0.0 111.995 -178.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 66.1 m -80.88 -5.76 57.77 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.278 -0.874 . . . . 0.0 110.76 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 15.8 tm-20 -56.9 -38.84 73.38 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.249 -0.649 . . . . 0.0 109.249 179.744 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.413 ' OE2' ' OE2' ' A' ' 84' ' ' GLU . 1.2 pp20? -67.61 -35.26 78.61 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.728 179.283 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.413 ' OE2' ' OE2' ' A' ' 83' ' ' GLU . 79.8 mm-40 -63.92 -44.8 91.82 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-O 120.913 0.387 . . . . 0.0 110.795 -179.735 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 4.2 mm -68.13 -38.63 80.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 121.282 0.563 . . . . 0.0 109.741 178.826 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 80.1 ttt180 -60.35 -38.55 84.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.204 -0.907 . . . . 0.0 110.533 179.592 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -57.54 -38.58 74.97 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.788 -0.642 . . . . 0.0 109.967 -179.655 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -59.97 -34.45 73.31 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.526 179.428 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 74.4 m-85 -75.12 -39.86 60.25 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.359 -0.536 . . . . 0.0 110.344 178.239 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 1.2 mpt_? -44.5 -30.44 0.88 Allowed 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.484 -179.402 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.659 HG11 HG23 ' B' ' 39' ' ' THR . 52.5 t -60.98 -39.7 83.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.975 179.679 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 16.4 m-85 -87.53 -26.58 23.09 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 120.768 -0.373 . . . . 0.0 110.525 -179.698 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.446 ' OD1' ' O ' ' A' ' 99' ' ' TYR . 38.6 t70 -89.99 68.99 7.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.309 -0.405 . . . . 0.0 109.926 179.053 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 26.5 pttm -76.99 -20.11 56.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.014 0.435 . . . . 0.0 111.153 179.612 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' ASP . . . . . 0.526 ' OD2' ' ND2' ' A' ' 97' ' ' ASN . 51.4 t0 -73.72 -28.65 61.82 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.333 179.648 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 73.87 21.77 78.86 Favored Glycine 0 CA--C 1.528 0.878 0 N-CA-C 111.265 -0.734 . . . . 0.0 111.265 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' ASN . . . . . 0.526 ' ND2' ' OD2' ' A' ' 95' ' ' ASP . 98.6 m-20 -91.46 -4.25 55.77 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 120.833 -0.347 . . . . 0.0 111.313 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' GLY . . . . . 0.429 ' C ' ' CD1' ' A' ' 99' ' ' TYR . . . 93.36 11.59 58.22 Favored Glycine 0 CA--C 1.532 1.152 0 C-N-CA 120.805 -0.712 . . . . 0.0 111.479 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.446 ' O ' ' OD1' ' A' ' 93' ' ' ASP . 18.9 m-85 -136.9 157.59 46.39 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-O 121.159 0.504 . . . . 0.0 112.163 -179.722 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.442 HG21 HD13 ' A' ' 100' ' ' ILE . 0.3 OUTLIER -129.07 142.01 45.14 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 177.657 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 67.9 m -58.87 130.4 46.77 Favored 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 119.87 -0.732 . . . . 0.0 110.043 -179.372 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.607 ' HB2' HG23 ' A' ' 136' ' ' VAL . . . -63.26 -38.24 90.39 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.976 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -60.05 -40.26 88.82 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.656 0.613 . . . . 0.0 112.656 -178.152 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.511 ' O ' HG23 ' A' ' 108' ' ' VAL . 5.1 pt-20 -70.38 -28.6 65.22 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.59 -0.444 . . . . 0.0 110.674 -179.057 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 3.4 tt -60.53 -48.64 80.89 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.685 ' CZ ' HG11 ' A' ' 121' ' ' VAL . 7.9 tpp180 -55.16 -51.59 66.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.251 -0.431 . . . . 0.0 109.922 179.84 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 79.3 t60 -61.11 -47.59 85.59 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.111 0.481 . . . . 0.0 111.237 179.637 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.511 HG23 ' O ' ' A' ' 104' ' ' GLU . 53.8 t -61.38 -40.84 87.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 115.607 -0.724 . . . . 0.0 112.119 -179.082 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.62 -29.15 64.34 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.23 -0.441 . . . . 0.0 112.075 -179.171 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.514 ' CG2' HG21 ' A' ' 121' ' ' VAL . 41.5 p -102.96 -11.43 18.2 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 112.37 0.507 . . . . 0.0 112.37 -177.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 24.0 t-20 -111.02 -49.18 3.04 Favored 'General case' 0 N--CA 1.467 0.376 0 N-CA-C 112.237 0.458 . . . . 0.0 112.237 -178.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 92.5 mt -92.83 163.47 13.7 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-O 121.214 0.53 . . . . 0.0 112.143 -178.693 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 63.61 -116.5 9.33 Favored Glycine 0 CA--C 1.523 0.542 0 CA-C-N 115.307 -0.86 . . . . 0.0 111.713 179.016 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 114' ' ' GLU . . . . . 0.609 ' O ' HD22 ' A' ' 116' ' ' LEU . 78.8 mm-40 -113.23 93.14 4.27 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.433 -0.58 . . . . 0.0 109.433 179.122 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 62.5 mttp -35.06 116.95 0.37 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.119 -0.491 . . . . 0.0 112.036 -178.022 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.609 HD22 ' O ' ' A' ' 114' ' ' GLU . 3.8 mm? -88.9 155.98 19.19 Favored 'General case' 0 N--CA 1.462 0.161 0 N-CA-C 108.687 -0.857 . . . . 0.0 108.687 178.36 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 59.4 p -88.96 165.64 14.44 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.829 -0.434 . . . . 0.0 109.829 178.863 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 118' ' ' ASP . . . . . 0.415 ' HA ' HH12 ' A' ' 106' ' ' ARG . 98.3 m-20 -59.8 -39.89 86.5 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 120.583 -0.447 . . . . 0.0 110.143 -179.665 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -61.89 -41.23 97.65 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.092 179.853 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 120' ' ' GLU . . . . . 0.594 ' HB3' HD12 ' A' ' 116' ' ' LEU . 48.8 mt-10 -70.42 -43.67 69.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.98 178.736 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.685 HG11 ' CZ ' ' A' ' 106' ' ' ARG . 79.2 t -65.48 -44.44 94.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.621 179.841 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -54.59 -39.17 67.55 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 120.049 -0.66 . . . . 0.0 109.234 -178.83 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -62.86 -38.21 89.92 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.801 -0.636 . . . . 0.0 109.342 178.07 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 97.0 mtp -69.9 -39.32 76.3 Favored 'General case' 0 C--O 1.231 0.131 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.663 179.622 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 125' ' ' ILE . . . . . 0.628 HD13 HG12 ' A' ' 121' ' ' VAL . 1.2 mp -59.73 -37.79 72.84 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.137 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.571 -179.447 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -67.73 -26.66 66.25 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.527 179.648 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -96.11 -10.82 27.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.868 179.702 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.63 ' HB1' HG21 ' A' ' 136' ' ' VAL . . . -79.69 -70.98 0.47 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.406 -179.122 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 129' ' ' ASP . . . . . 0.446 ' CB ' ' O ' ' A' ' 128' ' ' ALA . 1.2 m-20 163.11 -93.67 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.559 0 CA-C-O 121.002 0.43 . . . . 0.0 111.377 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 130' ' ' ILE . . . . . 0.697 ' O ' HG22 ' A' ' 130' ' ' ILE . 76.7 mt 49.64 51.03 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.404 -178.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -60.93 -41.86 97.02 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 179.155 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -168.48 -51.25 0.03 OUTLIER Glycine 0 CA--C 1.524 0.627 0 CA-C-N 115.171 -0.922 . . . . 0.0 111.195 179.704 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -60.74 -39.23 87.91 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 111.788 0.292 . . . . 0.0 111.788 -178.896 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 98.49 40.44 3.43 Favored Glycine 0 CA--C 1.525 0.664 0 C-N-CA 120.335 -0.936 . . . . 0.0 111.227 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -123.21 148.93 45.3 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 109.788 -0.449 . . . . 0.0 109.788 179.113 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 136' ' ' VAL . . . . . 0.63 HG21 ' HB1' ' A' ' 128' ' ' ALA . 38.5 t -127.39 133.37 68.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.896 -179.096 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 137' ' ' ASN . . . . . 0.445 ' OD1' ' O ' ' A' ' 137' ' ' ASN . 43.3 p-10 -92.2 112.56 24.54 Favored 'General case' 0 N--CA 1.451 -0.407 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 178.489 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 38.9 p90 -62.63 -8.88 7.31 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 112.08 0.4 . . . . 0.0 112.08 -178.478 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 15.7 tm-20 -60.03 -50.97 71.64 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 119.882 -0.727 . . . . 0.0 110.784 -179.315 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -61.46 -40.33 94.12 Favored 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 120.732 -0.387 . . . . 0.0 110.857 -179.117 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -60.75 -46.8 89.03 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.519 -0.473 . . . . 0.0 109.87 178.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 53.6 t -63.12 -44.58 99.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 C-N-CA 120.703 -0.399 . . . . 0.0 110.468 179.384 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 10.7 tp-100 -61.53 -42.15 98.39 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 108.8 -0.815 . . . . 0.0 108.8 178.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 2.1 ttp -63.41 -48.73 76.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.394 -0.821 . . . . 0.0 109.537 178.041 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 10.5 tpp -61.16 -26.77 67.93 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.844 -179.558 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 77.2 p -112.84 22.82 14.08 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.608 -178.69 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -128.51 51.58 1.99 Allowed 'General case' 0 N--CA 1.463 0.19 0 CA-C-O 120.625 0.25 . . . . 0.0 110.613 179.46 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 148' ' ' LYS . . . . . 0.515 ' OXT' ' NZ ' ' B' ' 56' ' ' LYS . 9.3 mmtt . . . . . 0 C--O 1.221 -0.44 0 CA-C-O 118.002 -0.999 . . . . 0.0 110.314 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 30' ' ' PHE . . . . . 0.598 ' N ' ' CD1' ' B' ' 30' ' ' PHE . 0.1 OUTLIER . . . . . 0 N--CA 1.49 1.566 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 53.2 t0 54.89 50.08 16.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.946 179.7 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 8.9 pt -124.58 163.69 24.35 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.208 0 N-CA-C 109.621 -0.511 . . . . 0.0 109.621 179.6 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -79.06 75.4 5.58 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 179.067 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 34' ' ' MET . . . . . . . . . . . . . 85.0 mtp -64.92 -38.39 90.81 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.691 -179.039 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -61.81 -38.92 89.93 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.622 -179.051 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.32 122.98 74.06 Favored Pre-proline 0 CA--C 1.541 0.601 0 C-N-CA 120.623 -0.431 . . . . 0.0 110.49 -179.218 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_exo -51.44 -34.09 49.66 Favored 'Trans proline' 0 N--CA 1.5 1.878 0 C-N-CA 121.967 1.778 . . . . 0.0 112.881 179.328 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -54.8 -39.44 68.48 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.851 -0.34 . . . . 0.0 111.057 -178.718 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 39' ' ' THR . . . . . 0.659 HG23 HG11 ' A' ' 91' ' ' VAL . 92.5 m -63.91 -44.09 94.0 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.529 -0.468 . . . . 0.0 110.136 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -62.97 -41.79 99.64 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.571 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 6.7 mmp_? -64.22 -39.51 94.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.241 179.82 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -61.31 -41.12 96.47 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.332 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 43' ' ' ALA . . . . . 0.674 ' HB1' HE21 ' B' ' 47' ' ' GLN . . . -61.98 -39.6 92.71 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.536 179.746 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 53.2 t -61.22 -44.74 98.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.253 -179.659 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -60.64 -47.21 87.27 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.583 -0.447 . . . . 0.0 110.924 -179.338 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 92.9 mt -66.4 -47.2 84.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 C-N-CA 120.662 -0.415 . . . . 0.0 111.064 179.664 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 47' ' ' GLN . . . . . 0.674 HE21 ' HB1' ' B' ' 43' ' ' ALA . 66.7 mt-30 -65.74 -41.46 92.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.234 -179.6 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 48.2 t -62.6 -46.16 89.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.2 -179.604 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 97.8 mm-40 -65.07 -38.14 89.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.948 -179.774 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 50' ' ' PHE . . . . . 0.471 ' CE2' ' OE1' ' B' ' 54' ' ' GLN . 63.5 t80 -58.55 -47.94 82.55 Favored 'General case' 0 C--N 1.332 -0.191 0 C-N-CA 120.93 -0.308 . . . . 0.0 110.83 -179.42 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 55.9 ttp180 -60.07 -42.99 95.73 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 120.736 -0.385 . . . . 0.0 110.196 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 64.9 tttm -61.91 -39.96 93.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.055 179.267 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 53' ' ' PHE . . . . . . . . . . . . . 40.2 t80 -58.71 -42.7 89.27 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.35 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 54' ' ' GLN . . . . . 0.471 ' OE1' ' CE2' ' B' ' 50' ' ' PHE . 47.2 mt-30 -61.08 -39.34 89.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.132 -179.337 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -61.04 -43.06 99.45 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 120.638 -0.425 . . . . 0.0 111.03 -179.265 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 56' ' ' LYS . . . . . 0.515 ' NZ ' ' OXT' ' A' ' 148' ' ' LYS . 59.1 mtpt -67.13 -39.06 86.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.019 0.438 . . . . 0.0 110.331 179.474 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -61.46 -40.42 94.43 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.972 179.643 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.09 -39.38 89.69 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.773 -0.648 . . . . 0.0 111.812 -179.288 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . -59.99 -40.68 97.29 Favored Glycine 0 CA--C 1.523 0.54 0 N-CA-C 111.049 -0.82 . . . . 0.0 111.049 -179.284 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 23.1 t -68.26 -12.54 61.19 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.851 0.358 . . . . 0.0 110.038 179.355 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 30.6 mm100 59.19 41.7 19.85 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.278 -179.269 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 49.0 m . . . . . 0 C--O 1.22 -0.486 0 CA-C-O 118.006 -0.997 . . . . 0.0 110.589 179.888 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 26.5 ptt? . . . . . 0 N--CA 1.491 1.584 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 23.0 pttp -150.91 161.79 42.02 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.722 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.485 ' O ' ' CB ' ' A' ' 79' ' ' THR . 55.5 p30 -135.97 -153.93 0.53 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.601 -179.455 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.516 ' O ' ' N ' ' A' ' 81' ' ' SER . 0.2 OUTLIER 83.38 -11.45 0.92 Allowed 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.329 -179.705 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.465 ' C ' ' O ' ' A' ' 79' ' ' THR . 99.5 m-20 -27.12 88.58 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.334 0 O-C-N 123.999 0.812 . . . . 0.0 111.319 -179.282 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' SER . . . . . 0.516 ' N ' ' O ' ' A' ' 79' ' ' THR . 85.8 p -82.04 -6.93 59.54 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.511 -0.768 . . . . 0.0 111.208 -179.851 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 24.5 pt-20 -55.95 -35.68 66.95 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 120.412 -0.515 . . . . 0.0 110.227 -179.675 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -65.94 -37.03 84.97 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.373 179.087 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -62.39 -44.69 95.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.09 179.658 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.647 HD12 ' CD ' ' B' ' 49' ' ' GLN . 39.7 mm -66.78 -43.28 89.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.667 179.368 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -60.45 -35.92 76.98 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.861 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 16.1 tm-20 -55.52 -40.07 71.32 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.425 -0.584 . . . . 0.0 109.425 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.22 -35.12 74.72 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.971 179.513 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 89.5 m-85 -79.97 -40.36 28.16 Favored 'General case' 0 C--N 1.333 -0.143 0 C-N-CA 120.557 -0.457 . . . . 0.0 110.227 178.574 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -49.95 -25.11 2.98 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.346 -179.219 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 54.8 t -62.02 -39.57 84.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.276 178.663 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 16.0 m-85 -87.41 -25.74 23.65 Favored 'General case' 0 CA--C 1.53 0.182 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.713 -179.759 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 68.1 t0 -93.87 108.18 19.99 Favored 'General case' 0 CA--C 1.529 0.15 0 N-CA-C 109.169 -0.678 . . . . 0.0 109.169 178.777 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 52.5 mttp -97.55 -51.43 4.14 Favored 'General case' 0 CA--C 1.517 -0.304 0 CA-C-O 121.274 0.559 . . . . 0.0 110.403 -179.329 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' ASP . . . . . 0.437 ' O ' ' OD1' ' A' ' 95' ' ' ASP . 52.1 t0 -65.35 -17.64 64.68 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.301 -0.863 . . . . 0.0 111.217 -178.089 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 66.25 40.67 94.86 Favored Glycine 0 CA--C 1.521 0.416 0 C-N-CA 120.282 -0.961 . . . . 0.0 111.037 179.268 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 47.9 p-10 -88.05 -5.44 58.49 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 178.773 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 92.62 6.12 64.29 Favored Glycine 0 CA--C 1.529 0.924 0 CA-C-N 115.297 -0.865 . . . . 0.0 111.526 179.749 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.469 ' CD1' ' N ' ' A' ' 99' ' ' TYR . 12.0 m-85 -136.51 159.03 43.03 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-O 120.96 0.409 . . . . 0.0 110.934 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -130.36 148.28 33.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 N-CA-C 107.594 -1.261 . . . . 0.0 107.594 177.793 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 39.2 t -58.77 132.4 53.78 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 119.625 -0.83 . . . . 0.0 109.834 -179.525 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.441 ' HB2' HG23 ' A' ' 136' ' ' VAL . . . -65.02 -36.68 85.16 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.487 -179.679 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -59.29 -40.06 84.93 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.271 0.471 . . . . 0.0 112.271 -177.798 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.684 ' O ' HG23 ' A' ' 108' ' ' VAL . 6.1 pt-20 -69.45 -28.19 65.89 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.202 -0.599 . . . . 0.0 110.424 -179.313 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 28.3 tp -61.3 -48.06 83.1 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.045 -0.724 . . . . 0.0 109.045 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.602 ' CD ' HG11 ' A' ' 121' ' ' VAL . 2.1 tpt85 -56.36 -50.66 70.91 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.712 -0.677 . . . . 0.0 109.637 -179.289 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 107' ' ' HIS . . . . . 0.511 ' O ' ' N ' ' A' ' 111' ' ' ASN . 31.1 t-80 -62.72 -46.23 89.04 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.137 0.494 . . . . 0.0 111.2 179.04 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.684 HG23 ' O ' ' A' ' 104' ' ' GLU . 67.2 t -61.14 -39.61 83.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.378 -0.828 . . . . 0.0 112.304 -178.551 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.61 -17.73 53.19 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.911 -0.316 . . . . 0.0 111.323 -179.273 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.461 HG23 ' O ' ' A' ' 106' ' ' ARG . 54.5 p -108.67 -17.87 13.85 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.789 -0.365 . . . . 0.0 111.633 -178.944 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 111' ' ' ASN . . . . . 0.511 ' N ' ' O ' ' A' ' 107' ' ' HIS . 23.0 t-20 -112.61 -32.71 6.36 Favored 'General case' 0 N--CA 1.467 0.422 0 N-CA-C 112.509 0.559 . . . . 0.0 112.509 -179.065 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.462 ' O ' ' O ' ' A' ' 113' ' ' GLY . 88.0 mt -108.9 138.64 44.93 Favored 'General case' 0 N--CA 1.466 0.363 0 N-CA-C 112.025 0.38 . . . . 0.0 112.025 -178.448 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 113' ' ' GLY . . . . . 0.553 ' O ' ' C ' ' A' ' 114' ' ' GLU . . . 55.4 124.32 0.01 OUTLIER Glycine 0 CA--C 1.523 0.543 0 CA-C-N 115.596 -0.729 . . . . 0.0 111.662 178.902 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 114' ' ' GLU . . . . . 0.553 ' C ' ' O ' ' A' ' 113' ' ' GLY . 45.8 mt-10 14.04 87.32 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.563 0 O-C-N 123.794 0.349 . . . . 0.0 111.319 179.457 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 62.3 mttp -47.11 134.43 10.77 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.265 -177.709 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.616 HD12 ' HB3' ' A' ' 120' ' ' GLU . 4.2 mm? -90.46 156.07 18.46 Favored 'General case' 0 C--N 1.332 -0.171 0 N-CA-C 108.879 -0.785 . . . . 0.0 108.879 178.743 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 68.6 p -86.02 164.16 17.53 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 179.081 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 118' ' ' ASP . . . . . 0.42 ' OD1' ' OD2' ' A' ' 122' ' ' ASP . 68.0 t0 -57.5 -42.06 82.01 Favored 'General case' 0 C--N 1.325 -0.487 0 C-N-CA 120.597 -0.441 . . . . 0.0 109.829 -179.748 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 60.3 mp0 -62.26 -40.85 97.57 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.429 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 120' ' ' GLU . . . . . 0.616 ' HB3' HD12 ' A' ' 116' ' ' LEU . 51.8 mt-10 -70.26 -44.8 67.72 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.924 -0.31 . . . . 0.0 110.978 179.459 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.602 HG11 ' CD ' ' A' ' 106' ' ' ARG . 73.1 t -66.16 -42.88 92.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.674 -179.731 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 122' ' ' ASP . . . . . 0.42 ' OD2' ' OD1' ' A' ' 118' ' ' ASP . 98.4 m-20 -55.77 -39.39 71.17 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 119.915 -0.714 . . . . 0.0 109.668 -178.329 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 53.4 tp10 -62.79 -37.73 87.84 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.996 -0.547 . . . . 0.0 109.625 178.58 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 97.0 mtp -68.53 -38.98 81.33 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.195 179.662 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 125' ' ' ILE . . . . . 0.573 HD13 HG12 ' A' ' 121' ' ' VAL . 1.2 mp -58.77 -41.0 81.31 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.154 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.896 -179.444 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 83.4 mtp180 -66.43 -25.55 66.8 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.895 0.378 . . . . 0.0 110.554 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -96.22 -11.95 25.32 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.641 179.518 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.491 ' HB1' ' CG2' ' A' ' 136' ' ' VAL . . . -78.85 -74.28 0.29 Allowed 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.52 -179.162 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 129' ' ' ASP . . . . . 0.526 ' CG ' ' N ' ' A' ' 130' ' ' ILE . 18.3 t70 166.49 -104.17 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.873 0 O-C-N 123.652 0.595 . . . . 0.0 110.856 179.407 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 130' ' ' ILE . . . . . 0.526 ' N ' ' CG ' ' A' ' 129' ' ' ASP . 1.2 mp 59.91 -127.96 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 CA-C-N 115.454 -0.794 . . . . 0.0 111.665 -179.606 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 131' ' ' ASP . . . . . 0.477 ' N ' HG22 ' A' ' 130' ' ' ILE . 0.0 OUTLIER 82.19 -21.1 0.32 Allowed 'General case' 0 N--CA 1.462 0.164 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.007 -178.775 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 175.95 -71.31 0.08 OUTLIER Glycine 0 CA--C 1.525 0.662 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 179.73 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 45.0 t0 -47.45 -37.04 10.88 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 121.372 -0.131 . . . . 0.0 111.212 -178.053 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 78.31 28.68 55.31 Favored Glycine 0 CA--C 1.531 1.062 0 C-N-CA 120.797 -0.716 . . . . 0.0 113.653 177.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 135' ' ' GLN . . . . . 0.421 ' O ' ' OD2' ' A' ' 129' ' ' ASP . 6.9 pt20 -121.36 149.54 42.81 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 117.431 0.615 . . . . 0.0 109.634 178.223 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 136' ' ' VAL . . . . . 0.491 ' CG2' ' HB1' ' A' ' 128' ' ' ALA . 35.4 t -126.23 135.13 64.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 N-CA-C 112.262 0.467 . . . . 0.0 112.262 -178.5 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -92.09 107.75 19.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.773 -0.649 . . . . 0.0 109.401 178.427 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 43.1 p90 -63.69 -14.71 54.66 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.801 -0.36 . . . . 0.0 111.641 -178.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 53.3 tp10 -59.4 -50.33 74.38 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.13 -0.628 . . . . 0.0 110.056 -179.355 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -60.76 -42.02 96.62 Favored 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 120.87 -0.332 . . . . 0.0 110.611 -179.559 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -59.31 -49.17 78.85 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 178.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 71.4 t -62.27 -43.76 98.36 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 C-N-CA 120.571 -0.452 . . . . 0.0 110.187 179.661 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 10.8 tp-100 -61.58 -42.52 98.98 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 178.716 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 2.2 ttp -62.69 -47.08 85.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.512 -0.767 . . . . 0.0 109.823 178.421 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 145' ' ' MET . . . . . 0.493 ' SD ' ' OE1' ' B' ' 49' ' ' GLN . 65.3 mtt -67.67 -25.39 65.67 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.116 179.822 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 71.0 p -107.87 21.51 17.3 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.106 -179.467 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -132.17 66.97 1.54 Allowed 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.588 -0.278 . . . . 0.0 110.6 179.557 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 8.2 mmtt . . . . . 0 C--O 1.22 -0.452 0 CA-C-O 117.972 -1.013 . . . . 0.0 110.383 179.826 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 30' ' ' PHE . . . . . 0.569 ' N ' ' CD1' ' B' ' 30' ' ' PHE . 0.1 OUTLIER . . . . . 0 N--CA 1.491 1.6 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 41.3 t0 54.54 50.49 15.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.779 179.804 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 32' ' ' ILE . . . . . 0.458 HD13 HG21 ' B' ' 32' ' ' ILE . 6.7 pt -121.11 164.23 17.96 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.185 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 179.829 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -78.15 75.31 4.68 Favored 'General case' 0 C--N 1.325 -0.492 0 C-N-CA 120.429 -0.509 . . . . 0.0 110.158 179.767 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 34' ' ' MET . . . . . . . . . . . . . 51.1 mtt -63.2 -38.28 90.53 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.729 179.744 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 35' ' ' ASP . . . . . 0.532 ' OD1' ' N ' ' B' ' 36' ' ' ALA . 52.3 p-10 -61.3 -29.52 69.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.844 -179.142 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 36' ' ' ALA . . . . . 0.532 ' N ' ' OD1' ' B' ' 35' ' ' ASP . . . -67.01 141.84 96.9 Favored Pre-proline 0 CA--C 1.534 0.337 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 179.479 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 47.2 Cg_endo -67.68 -26.62 39.13 Favored 'Trans proline' 0 N--CA 1.493 1.477 0 C-N-CA 122.058 1.838 . . . . 0.0 112.673 -179.496 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -63.83 -41.77 97.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.325 -179.484 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 93.0 m -63.39 -49.36 74.08 Favored 'General case' 0 C--N 1.332 -0.155 0 C-N-CA 120.618 -0.433 . . . . 0.0 110.974 -179.291 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -65.11 -43.41 92.08 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 121.315 0.579 . . . . 0.0 109.537 179.311 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 17.7 tpp180 -62.08 -42.3 99.07 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.234 -0.894 . . . . 0.0 110.273 179.156 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -60.52 -40.2 90.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.484 -179.837 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -61.39 -40.78 95.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.345 179.817 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 60.2 t -62.08 -45.93 97.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.539 -179.444 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -61.3 -44.01 97.92 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 120.799 -0.361 . . . . 0.0 111.009 -179.309 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 92.5 mt -63.74 -45.86 96.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.299 179.624 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 47' ' ' GLN . . . . . 0.537 ' NE2' ' O ' ' A' ' 113' ' ' GLY . 93.6 mt-30 -63.69 -38.59 91.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.372 179.252 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 74.7 m -60.15 -41.75 93.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.05 -179.807 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 49' ' ' GLN . . . . . 0.647 ' CD ' HD12 ' A' ' 85' ' ' ILE . 82.2 mt-30 -63.54 -40.6 97.43 Favored 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 120.608 -0.437 . . . . 0.0 110.496 179.319 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 56.2 t80 -60.19 -48.15 82.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.01 -179.055 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 51' ' ' ARG . . . . . 0.512 ' NH1' ' OE1' ' A' ' 114' ' ' GLU . 91.5 mtm180 -62.83 -41.54 99.37 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.626 -0.43 . . . . 0.0 110.646 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 56.3 mtmt -66.95 -39.33 87.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.161 179.672 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 53' ' ' PHE . . . . . . . . . . . . . 69.9 t80 -59.98 -49.63 76.92 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.895 -179.18 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 20.2 pt20 -72.0 -29.63 64.41 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.856 -0.338 . . . . 0.0 110.686 179.862 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 38.9 ttpt -61.51 -44.16 97.57 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.266 179.681 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 20.4 tptm -60.74 -43.56 97.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.181 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 8.4 tppt? -61.08 -43.08 99.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.065 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.74 -39.85 93.02 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.449 179.814 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 99.09 149.75 24.89 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 86.8 p -70.74 -18.87 62.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.773 0.321 . . . . 0.0 110.766 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 26.7 mp0 -62.92 -39.93 96.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.517 -179.769 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 1.5 p . . . . . 0 C--O 1.219 -0.502 0 CA-C-O 118.049 -0.977 . . . . 0.0 110.537 179.997 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 67.5 m . . . . . 0 N--CA 1.461 0.125 0 CA-C-O 120.919 0.39 . . . . 0.0 110.339 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -57.41 -37.68 73.13 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 -179.541 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 22.5 pt-20 -62.5 -32.55 73.48 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.35 -0.841 . . . . 0.0 110.468 179.37 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -63.76 -42.69 97.77 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.489 -179.719 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 4.4 mm -67.69 -39.33 81.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.262 179.248 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -61.62 -37.01 82.4 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.075 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 53.9 tp10 -55.32 -40.8 71.6 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 108.763 -0.829 . . . . 0.0 108.763 -179.694 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -59.53 -33.42 71.36 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.548 179.323 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 74.7 m-85 -81.94 -41.27 21.07 Favored 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 120.658 -0.417 . . . . 0.0 110.552 178.8 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 95.0 mtt-85 -53.17 -23.64 8.87 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.672 -178.621 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 54.6 t -60.43 -38.15 76.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.105 178.755 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 18.9 m-85 -87.36 -19.69 27.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.091 -179.386 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 58.0 t0 -88.82 73.26 8.46 Favored 'General case' 0 N--CA 1.464 0.262 0 N-CA-C 109.915 -0.402 . . . . 0.0 109.915 179.22 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 65.1 pttt -70.69 -22.53 62.46 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.943 0.402 . . . . 0.0 111.396 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -76.72 -25.8 53.96 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.801 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 67.57 30.32 74.8 Favored Glycine 0 CA--C 1.526 0.776 0 N-CA-C 111.044 -0.822 . . . . 0.0 111.044 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . 0.775 HD22 ' H ' ' A' ' 99' ' ' TYR . 0.3 OUTLIER -98.61 -1.69 40.3 Favored 'General case' 0 C--N 1.33 -0.239 0 C-N-CA 120.874 -0.33 . . . . 0.0 110.925 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 94.62 8.1 59.79 Favored Glycine 0 CA--C 1.527 0.795 0 N-CA-C 111.312 -0.715 . . . . 0.0 111.312 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.775 ' H ' HD22 ' A' ' 97' ' ' ASN . 18.3 m-85 -135.52 156.9 48.15 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.983 0.42 . . . . 0.0 111.18 -179.738 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.406 HD13 HG21 ' A' ' 100' ' ' ILE . 0.4 OUTLIER -130.42 145.5 35.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 178.187 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 41.3 t -58.84 134.75 57.17 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 119.69 -0.804 . . . . 0.0 109.763 -179.789 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.715 ' HB2' HG23 ' A' ' 136' ' ' VAL . . . -66.22 -37.5 85.69 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.849 0.357 . . . . 0.0 111.183 -179.854 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -61.01 -42.14 97.88 Favored 'General case' 0 CA--C 1.535 0.38 0 N-CA-C 112.839 0.681 . . . . 0.0 112.839 -178.193 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.645 ' O ' HG23 ' A' ' 108' ' ' VAL . 1.1 pp20? -67.21 -26.36 66.57 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.436 -0.506 . . . . 0.0 110.791 -178.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 48.1 tp -61.96 -45.96 91.4 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.141 -0.688 . . . . 0.0 109.141 179.755 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 8.7 tmm_? -57.73 -50.74 72.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.221 -179.131 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . 0.603 ' CE1' ' ND2' ' A' ' 111' ' ' ASN . 82.8 t60 -61.43 -43.2 99.28 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.041 0.448 . . . . 0.0 110.518 179.787 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.645 HG23 ' O ' ' A' ' 104' ' ' GLU . 67.2 t -62.84 -38.43 81.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 115.543 -0.753 . . . . 0.0 111.508 -179.792 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.63 -18.99 46.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.596 -179.077 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . 0.508 ' CG2' HG21 ' A' ' 121' ' ' VAL . 81.0 p -108.57 -18.94 13.6 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.685 -0.406 . . . . 0.0 111.186 -179.794 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . 0.603 ' ND2' ' CE1' ' A' ' 107' ' ' HIS . 55.9 t30 -107.5 -38.71 5.84 Favored 'General case' 0 CA--C 1.533 0.294 0 N-CA-C 112.68 0.622 . . . . 0.0 112.68 -178.389 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.474 ' O ' ' O ' ' A' ' 113' ' ' GLY . 87.8 mt -103.59 139.85 38.33 Favored 'General case' 0 N--CA 1.468 0.435 0 N-CA-C 112.083 0.401 . . . . 0.0 112.083 -178.635 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . 0.573 ' O ' ' C ' ' A' ' 114' ' ' GLU . . . 56.12 128.79 0.01 OUTLIER Glycine 0 CA--C 1.524 0.637 0 CA-C-N 115.419 -0.81 . . . . 0.0 111.558 179.019 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . 0.573 ' C ' ' O ' ' A' ' 113' ' ' GLY . 98.2 mt-10 7.92 93.99 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.737 0 O-C-N 124.111 0.536 . . . . 0.0 110.884 179.542 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -50.57 136.61 20.93 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.145 -0.48 . . . . 0.0 112.12 -176.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.543 HD12 ' HB3' ' A' ' 120' ' ' GLU . 4.5 mm? -92.61 155.78 17.53 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 115.659 -0.7 . . . . 0.0 109.456 178.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 65.6 p -85.44 167.37 15.56 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.848 -0.427 . . . . 0.0 109.848 179.164 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . 0.536 ' OD1' ' N ' ' A' ' 119' ' ' GLU . 40.4 p-10 -58.26 -40.41 81.73 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.582 -0.447 . . . . 0.0 110.546 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . 0.536 ' N ' ' OD1' ' A' ' 118' ' ' ASP . 98.5 mt-10 -61.64 -40.41 94.8 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.293 -179.807 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . 0.543 ' HB3' HD12 ' A' ' 116' ' ' LEU . 26.7 mm-40 -70.6 -40.83 72.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.256 178.553 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.508 HG21 ' CG2' ' A' ' 110' ' ' THR . 63.7 t -65.77 -44.41 93.1 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.21 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.908 179.58 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -59.3 -43.9 92.59 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 120.888 -0.325 . . . . 0.0 110.792 -179.226 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 53.9 tp10 -61.55 -39.11 89.93 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 179.443 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . 0.597 ' SD ' ' CE1' ' B' ' 50' ' ' PHE . 35.0 mmm -65.74 -40.83 92.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.545 179.287 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 1.2 mp -63.61 -40.71 90.07 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.302 -179.361 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -63.31 -27.73 69.53 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.085 0.469 . . . . 0.0 109.955 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -97.12 -21.66 17.21 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.968 179.174 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 0.526 ' O ' ' CB ' ' A' ' 129' ' ' ASP . . . -63.33 -44.61 94.42 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.583 -0.281 . . . . 0.0 111.749 -179.395 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . 0.526 ' CB ' ' O ' ' A' ' 128' ' ' ALA . 11.3 t70 142.6 -97.13 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.968 0 O-C-N 124.165 0.915 . . . . 0.0 110.809 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 130' ' ' ILE . . . . . 0.722 ' O ' HG22 ' A' ' 130' ' ' ILE . 65.9 mt . . . . . 0 C--N 1.326 -0.421 0 CA-C-N 114.941 -1.027 . . . . 0.0 111.62 -178.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.963 0 N-CA-C 111.939 -0.465 . . . . 0.0 111.939 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -124.56 155.64 38.7 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-O 120.946 0.403 . . . . 0.0 110.633 179.466 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . 0.715 HG23 ' HB2' ' A' ' 102' ' ' ALA . 25.1 t -126.78 135.61 63.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.744 -179.341 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 7.3 p-10 -95.42 109.03 21.26 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.831 -0.622 . . . . 0.0 109.351 178.733 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 35.6 p90 -58.53 -11.72 3.26 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.507 -0.477 . . . . 0.0 111.453 -178.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -59.07 -50.0 75.74 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 119.992 -0.683 . . . . 0.0 109.766 -179.748 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 52.5 tp10 -59.45 -41.94 90.79 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 116.689 -0.232 . . . . 0.0 110.929 -179.201 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -60.33 -41.14 92.95 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.271 -0.572 . . . . 0.0 109.731 179.208 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 51.8 t -62.92 -42.67 97.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.495 178.767 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 24.2 tt0 -59.89 -44.13 94.4 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 120.436 -0.506 . . . . 0.0 109.878 -179.618 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 73.6 mtm -60.11 -43.57 95.51 Favored 'General case' 0 C--N 1.332 -0.164 0 N-CA-C 108.359 -0.978 . . . . 0.0 108.359 178.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 1.1 mpp? . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.472 -179.991 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.563 0.221 . . . . 0.0 111.392 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -59.3 119.59 40.49 Favored Pre-proline 0 CA--C 1.54 0.566 0 C-N-CA 120.788 -0.365 . . . . 0.0 110.743 -178.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_exo -52.99 -30.28 48.01 Favored 'Trans proline' 0 N--CA 1.499 1.814 0 C-N-CA 121.925 1.75 . . . . 0.0 112.517 178.826 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 53.1 tt0 -59.43 -43.12 93.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.768 -179.224 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 96.8 m -62.02 -45.71 92.38 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.569 -0.452 . . . . 0.0 110.298 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -63.56 -41.61 98.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.459 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 23.9 mmt85 -64.99 -39.49 93.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.469 179.794 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -61.35 -40.51 94.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.488 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -61.61 -41.0 96.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.294 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 60.5 t -63.31 -44.19 98.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.417 -179.72 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -60.39 -45.05 94.96 Favored 'General case' 0 C--N 1.331 -0.199 0 C-N-CA 120.865 -0.334 . . . . 0.0 111.211 -178.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 97.7 mt -64.07 -46.67 93.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-O 121.081 0.467 . . . . 0.0 110.133 179.575 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 47' ' ' GLN . . . . . 0.447 ' NE2' ' O ' ' A' ' 113' ' ' GLY . 95.9 mt-30 -63.99 -42.01 97.33 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.663 -0.699 . . . . 0.0 111.084 -179.591 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 48.1 t -61.6 -45.92 92.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.122 0.487 . . . . 0.0 109.697 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 72.1 mm-40 -65.39 -39.71 92.57 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.418 179.284 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 50' ' ' PHE . . . . . 0.597 ' CE1' ' SD ' ' A' ' 124' ' ' MET . 46.7 t80 -60.09 -47.77 84.51 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.718 179.757 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 13.8 tpp85 -59.89 -43.7 94.64 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.103 -179.765 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 1.2 mptp? -66.0 -36.41 83.21 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.869 0.366 . . . . 0.0 110.462 179.513 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 53' ' ' PHE . . . . . . . . . . . . . 93.8 t80 -59.32 -46.59 88.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.382 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 30.2 mm100 -61.62 -40.5 95.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.601 -179.584 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 68.4 mttm . . . . . 0 C--N 1.33 -0.274 0 C-N-CA 120.908 -0.317 . . . . 0.0 110.869 179.938 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 69.9 m . . . . . 0 N--CA 1.46 0.067 0 CA-C-O 120.654 0.264 . . . . 0.0 110.942 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -59.4 -37.89 79.18 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.989 -0.745 . . . . 0.0 108.989 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 2.5 pp20? -62.97 -30.44 71.59 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.189 -0.914 . . . . 0.0 110.359 179.38 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 53.4 tp10 -70.68 -41.58 71.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.016 -179.739 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 38.9 mm -68.42 -46.55 80.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 N-CA-C 112.374 0.509 . . . . 0.0 112.374 -179.177 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 20.5 ptp180 -62.99 -27.47 69.43 Favored 'General case' 0 CA--C 1.521 -0.159 0 C-N-CA 120.482 -0.487 . . . . 0.0 110.585 -179.358 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -59.4 -40.73 87.54 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 179.51 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.18 -32.71 72.45 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.934 179.539 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 84.4 m-85 -81.38 -41.58 21.75 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 120.472 -0.491 . . . . 0.0 110.447 178.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -46.31 -28.46 1.31 Allowed 'General case' 0 N--CA 1.465 0.292 0 CA-C-O 120.853 0.359 . . . . 0.0 110.404 -179.72 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 55.2 t -61.21 -39.03 81.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.952 179.609 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 9.0 m-85 -89.94 -24.71 21.22 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.994 -179.232 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.447 ' OD1' ' O ' ' A' ' 99' ' ' TYR . 38.5 t70 -88.22 67.37 8.75 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.973 0.416 . . . . 0.0 110.121 178.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 65.3 pttt -73.51 -21.66 60.34 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.475 179.81 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -73.56 -25.85 60.57 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.518 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 69.18 24.8 75.85 Favored Glycine 0 CA--C 1.526 0.775 0 N-CA-C 111.139 -0.784 . . . . 0.0 111.139 179.804 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . 0.785 HD22 ' H ' ' A' ' 99' ' ' TYR . 0.3 OUTLIER -93.21 -6.81 46.88 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 121.018 -0.273 . . . . 0.0 110.833 -179.852 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . 0.521 ' O ' ' ND2' ' A' ' 137' ' ' ASN . . . 95.25 10.4 57.2 Favored Glycine 0 CA--C 1.53 0.986 0 N-CA-C 111.162 -0.775 . . . . 0.0 111.162 -179.715 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.785 ' H ' HD22 ' A' ' 97' ' ' ASN . 15.2 m-85 -135.13 155.7 50.27 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.361 0.6 . . . . 0.0 112.239 -179.251 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.409 HD13 HG21 ' A' ' 100' ' ' ILE . 0.2 OUTLIER -129.75 143.47 41.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 N-CA-C 107.457 -1.312 . . . . 0.0 107.457 177.427 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 73.4 m -60.06 132.44 53.95 Favored 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 119.627 -0.829 . . . . 0.0 109.897 -179.326 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.697 ' HB2' HG23 ' A' ' 136' ' ' VAL . . . -62.32 -39.39 92.91 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 121.061 0.457 . . . . 0.0 110.332 179.812 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -58.31 -42.45 86.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.633 -179.441 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 -61.2 -41.32 96.63 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.93 178.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 2.6 tt -59.42 -48.71 80.62 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.696 -0.401 . . . . 0.0 110.988 -178.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 2.9 tmt_? -57.74 -50.06 74.49 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.289 -0.564 . . . . 0.0 110.501 -179.227 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . 0.516 ' O ' ' N ' ' A' ' 111' ' ' ASN . 86.2 t60 -60.96 -47.56 85.88 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.017 0.437 . . . . 0.0 110.827 -179.76 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 50.1 t -62.03 -37.62 78.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 115.597 -0.729 . . . . 0.0 111.202 179.809 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . 0.407 ' CE ' HG21 ' B' ' 46' ' ' ILE . 0.0 OUTLIER -72.5 -29.97 64.1 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.616 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . 0.604 ' CG2' HG21 ' A' ' 121' ' ' VAL . 69.4 p -104.3 -16.52 15.14 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.559 -0.456 . . . . 0.0 112.229 -178.496 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . 0.516 ' N ' ' O ' ' A' ' 107' ' ' HIS . 19.1 t-20 -104.11 -45.6 4.67 Favored 'General case' 0 N--CA 1.467 0.376 0 N-CA-C 112.755 0.65 . . . . 0.0 112.755 -178.401 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.455 ' O ' ' O ' ' A' ' 113' ' ' GLY . 81.1 mt -100.82 141.49 33.63 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 120.919 0.39 . . . . 0.0 111.573 -178.471 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . 0.56 ' C ' HE22 ' B' ' 47' ' ' GLN . . . 58.61 129.2 0.01 OUTLIER Glycine 0 CA--C 1.523 0.537 0 N-CA-C 110.867 -0.893 . . . . 0.0 110.867 179.391 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . 0.554 ' C ' ' O ' ' A' ' 113' ' ' GLY . 78.7 mm-40 8.82 87.38 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.629 0 O-C-N 124.195 0.585 . . . . 0.0 111.355 179.687 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 52.5 mtpt -45.04 129.5 7.52 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.597 -177.646 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.676 HD12 ' HB3' ' A' ' 120' ' ' GLU . 4.3 mm? -87.06 157.87 19.33 Favored 'General case' 0 N--CA 1.462 0.169 0 N-CA-C 108.486 -0.931 . . . . 0.0 108.486 178.249 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . 0.445 ' OG1' ' OE1' ' A' ' 120' ' ' GLU . 73.2 p -94.27 171.95 8.51 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 120.454 -0.498 . . . . 0.0 110.199 179.36 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 68.0 t0 -58.89 -41.82 88.06 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.167 -179.257 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -61.87 -41.01 97.33 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.85 -0.34 . . . . 0.0 110.575 -179.616 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . 0.676 ' HB3' HD12 ' A' ' 116' ' ' LEU . 1.0 OUTLIER -69.78 -41.42 75.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.977 0.418 . . . . 0.0 110.613 178.884 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.604 HG21 ' CG2' ' A' ' 110' ' ' THR . 62.6 t -65.65 -42.72 93.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.884 179.858 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -59.02 -40.81 86.1 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.297 -0.561 . . . . 0.0 110.228 -178.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 54.1 tp10 -63.44 -38.77 92.42 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.141 -0.688 . . . . 0.0 109.141 178.562 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . 0.604 ' SD ' ' CE1' ' B' ' 50' ' ' PHE . 46.5 mmm -67.54 -39.21 85.0 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.351 -0.841 . . . . 0.0 110.59 179.197 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . 0.6 HG13 HD11 ' A' ' 130' ' ' ILE . 1.1 mp -62.05 -40.69 88.29 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.223 0 CA-C-N 116.042 -0.527 . . . . 0.0 111.225 -179.332 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 83.8 mtp180 -63.58 -26.1 68.54 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.022 0.439 . . . . 0.0 110.085 -179.724 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -97.01 -7.6 32.55 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.887 179.327 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 0.597 ' HB1' HG21 ' A' ' 136' ' ' VAL . . . -86.83 -79.24 0.27 Allowed 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.526 -178.885 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . 0.474 ' CB ' ' O ' ' A' ' 128' ' ' ALA . 1.5 m-20 159.47 -88.98 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.797 0 N-CA-C 111.679 0.251 . . . . 0.0 111.679 179.403 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 130' ' ' ILE . . . . . 0.6 HD11 HG13 ' A' ' 125' ' ' ILE . 67.6 mt . . . . . 0 N--CA 1.466 0.371 0 O-C-N 124.237 0.961 . . . . 0.0 109.899 -177.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.661 0 CA-C-O 119.904 -0.387 . . . . 0.0 112.38 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 6.3 mm100 -124.52 144.01 50.35 Favored 'General case' 0 N--CA 1.463 0.217 0 C-N-CA 120.392 -0.523 . . . . 0.0 110.365 178.581 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . 0.697 HG23 ' HB2' ' A' ' 102' ' ' ALA . 38.3 t -130.19 134.88 61.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.626 -0.716 . . . . 0.0 112.161 -179.402 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . 0.521 ' ND2' ' O ' ' A' ' 98' ' ' GLY . 2.0 t-20 -92.96 110.92 22.39 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 108.353 -0.98 . . . . 0.0 108.353 178.2 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 47.0 p90 -65.47 -8.92 21.62 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 112.441 0.534 . . . . 0.0 112.441 -178.238 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 15.9 tm-20 -60.59 -50.43 73.57 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 119.889 -0.724 . . . . 0.0 111.3 -179.004 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . 0.422 ' OE2' ' O ' ' A' ' 128' ' ' ALA . 24.9 pt-20 -62.52 -35.03 78.1 Favored 'General case' 0 CA--C 1.52 -0.198 0 C-N-CA 120.469 -0.492 . . . . 0.0 110.81 -179.145 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . 0.542 ' O ' ' SD ' ' A' ' 145' ' ' MET . 1.1 m-85 -62.83 -43.92 97.51 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 178.727 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 51.9 t -62.06 -40.8 88.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 C-N-CA 120.288 -0.565 . . . . 0.0 109.652 178.508 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 71.6 tp60 -59.98 -42.14 93.52 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 178.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 66.9 mtp -61.45 -45.76 92.94 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-N 115.943 -0.572 . . . . 0.0 109.989 179.351 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . 0.542 ' SD ' ' O ' ' A' ' 141' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 115.681 -0.69 . . . . 0.0 111.599 -179.41 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 55.3 p30 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.482 0.182 . . . . 0.0 111.1 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -104.45 144.46 28.76 Favored Pre-proline 0 CA--C 1.533 0.314 0 C-N-CA 120.927 -0.309 . . . . 0.0 110.216 179.753 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -69.95 -27.93 24.94 Favored 'Trans proline' 0 N--CA 1.491 1.356 0 C-N-CA 122.333 2.022 . . . . 0.0 112.92 -179.826 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -63.11 -41.84 99.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.194 -179.32 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 94.2 m -63.91 -46.1 86.33 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.71 -0.396 . . . . 0.0 110.517 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -63.27 -42.83 99.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.425 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 43.5 mmm-85 -63.04 -40.01 96.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.4 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -61.61 -41.58 97.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.488 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -62.36 -41.54 98.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.443 179.818 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 56.3 t -62.83 -43.97 99.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.634 -179.551 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -60.39 -44.94 95.18 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.742 -0.383 . . . . 0.0 111.295 -178.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 46' ' ' ILE . . . . . 0.407 HG21 ' CE ' ' A' ' 109' ' ' MET . 97.1 mt -64.44 -47.21 90.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 120.944 0.402 . . . . 0.0 110.874 179.797 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 47' ' ' GLN . . . . . 0.56 HE22 ' C ' ' A' ' 113' ' ' GLY . 27.3 mt-30 -64.72 -40.8 95.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.96 -179.478 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 48.1 t -60.83 -46.27 91.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.148 -179.483 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 69.7 tp60 -66.37 -37.94 86.45 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 179.4 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 50' ' ' PHE . . . . . 0.604 ' CE1' ' SD ' ' A' ' 124' ' ' MET . 48.9 t80 -59.74 -42.88 94.16 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.8 179.708 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 44.5 ttm180 -57.29 -40.1 77.11 Favored 'General case' 0 C--N 1.324 -0.523 0 C-N-CA 120.489 -0.484 . . . . 0.0 110.015 -179.753 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 64.3 mmtt -62.02 -36.5 81.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.14 179.401 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 53' ' ' PHE . . . . . . . . . . . . . 51.8 t80 -57.65 -42.26 83.12 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.34 -179.656 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 90.6 mt-30 -61.27 -39.9 92.12 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.655 -179.659 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 63.1 mttp . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.641 179.876 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 66.5 m . . . . . 0 N--CA 1.463 0.198 0 CA-C-O 120.677 0.275 . . . . 0.0 110.839 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 23.4 pt-20 -55.17 -32.82 62.46 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 120.23 -0.588 . . . . 0.0 109.576 -179.577 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -66.46 -34.22 77.45 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.325 -0.852 . . . . 0.0 110.266 179.459 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 53.4 tp10 -63.32 -45.61 90.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.251 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 4.7 mm -67.02 -41.04 86.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.602 179.725 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 79.3 mtp180 -60.54 -35.67 76.58 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.996 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 16.0 tm-20 -55.45 -41.18 72.54 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.19 -35.09 74.59 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.642 179.231 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 72.9 m-85 -77.78 -41.86 35.92 Favored 'General case' 0 C--N 1.333 -0.14 0 C-N-CA 120.739 -0.384 . . . . 0.0 110.314 178.337 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -49.08 -27.0 3.01 Favored 'General case' 0 N--CA 1.462 0.129 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.493 -178.748 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 54.5 t -61.17 -39.62 83.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 N-CA-C 109.913 -0.403 . . . . 0.0 109.913 178.596 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -87.11 -26.92 23.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.043 -179.656 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.421 ' OD1' ' O ' ' A' ' 99' ' ' TYR . 46.1 t0 -87.17 71.49 10.09 Favored 'General case' 0 N--CA 1.464 0.225 0 N-CA-C 109.938 -0.393 . . . . 0.0 109.938 179.387 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 23.4 pttp -70.63 -22.19 62.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.925 0.393 . . . . 0.0 111.46 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -76.1 -26.12 56.11 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.692 179.801 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 66.55 29.68 75.2 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.708 -0.957 . . . . 0.0 110.708 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -97.55 -1.17 44.52 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.669 0.271 . . . . 0.0 110.801 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 94.38 7.62 60.46 Favored Glycine 0 CA--C 1.529 0.925 0 N-CA-C 111.303 -0.719 . . . . 0.0 111.303 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.454 ' CD1' ' N ' ' A' ' 99' ' ' TYR . 15.3 m-85 -135.23 157.55 46.64 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-O 121.191 0.519 . . . . 0.0 111.646 -179.442 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.447 HD11 HD13 ' A' ' 105' ' ' LEU . 0.2 OUTLIER -131.46 146.94 32.84 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.142 0 N-CA-C 107.949 -1.13 . . . . 0.0 107.949 178.015 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 67.5 m -59.35 133.59 56.24 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 119.622 -0.831 . . . . 0.0 109.643 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.646 ' HB2' HG23 ' A' ' 136' ' ' VAL . . . -64.47 -39.12 93.21 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.034 0.445 . . . . 0.0 111.146 -179.751 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -60.08 -42.06 93.78 Favored 'General case' 0 CA--C 1.534 0.328 0 N-CA-C 112.978 0.733 . . . . 0.0 112.978 -177.66 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.711 ' O ' HG23 ' A' ' 108' ' ' VAL . 1.0 OUTLIER -68.62 -27.7 66.26 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.38 -0.528 . . . . 0.0 111.047 -179.067 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.447 HD13 HD11 ' A' ' 100' ' ' ILE . 20.7 tp -62.46 -48.16 80.86 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . 0.43 ' C ' ' CD ' ' A' ' 106' ' ' ARG . 0.0 OUTLIER -57.9 -51.36 69.95 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.391 -179.367 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . 0.615 ' CE1' ' ND2' ' A' ' 111' ' ' ASN . 82.3 t60 -60.25 -45.33 93.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.234 0.54 . . . . 0.0 110.535 179.361 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.711 HG23 ' O ' ' A' ' 104' ' ' GLU . 58.0 t -61.86 -38.24 80.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 115.301 -0.863 . . . . 0.0 111.285 -179.844 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -76.85 -27.51 55.12 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.98 -179.597 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . 0.504 ' CG2' HG21 ' A' ' 121' ' ' VAL . 81.2 p -104.47 -16.48 15.06 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 120.648 -0.421 . . . . 0.0 111.808 -178.878 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . 0.615 ' ND2' ' CE1' ' A' ' 107' ' ' HIS . 58.8 t30 -108.86 -38.83 5.5 Favored 'General case' 0 N--CA 1.464 0.272 0 N-CA-C 112.538 0.57 . . . . 0.0 112.538 -178.706 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.465 ' O ' ' O ' ' A' ' 113' ' ' GLY . 68.4 mt -106.01 140.35 39.14 Favored 'General case' 0 N--CA 1.466 0.343 0 C-N-CA 120.899 -0.321 . . . . 0.0 111.416 -178.55 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . 0.575 ' C ' HE22 ' B' ' 47' ' ' GLN . . . 58.37 125.39 0.01 OUTLIER Glycine 0 CA--C 1.523 0.537 0 N-CA-C 110.866 -0.894 . . . . 0.0 110.866 179.288 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . 0.552 ' C ' ' O ' ' A' ' 113' ' ' GLY . 98.8 mt-10 11.84 87.33 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.664 0 O-C-N 124.177 0.575 . . . . 0.0 111.037 179.643 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -46.27 130.94 10.62 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 120.994 0.426 . . . . 0.0 111.928 -177.375 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.68 HD12 ' HB3' ' A' ' 120' ' ' GLU . 4.3 mm? -89.0 157.09 18.49 Favored 'General case' 0 N--CA 1.462 0.17 0 N-CA-C 108.661 -0.866 . . . . 0.0 108.661 178.332 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . 0.536 ' O ' HG23 ' A' ' 121' ' ' VAL . 72.8 p -92.93 171.58 8.87 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.68 -0.408 . . . . 0.0 110.227 179.486 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -59.3 -41.11 88.24 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.846 -0.342 . . . . 0.0 110.981 -179.003 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -62.01 -41.43 98.06 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.805 -0.358 . . . . 0.0 110.532 -179.688 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . 0.68 ' HB3' HD12 ' A' ' 116' ' ' LEU . 0.8 OUTLIER -69.35 -40.71 77.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.96 0.41 . . . . 0.0 110.117 178.56 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.536 HG23 ' O ' ' A' ' 117' ' ' THR . 62.3 t -63.77 -45.16 98.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.94 179.739 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -58.3 -40.67 82.62 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.344 -0.542 . . . . 0.0 110.437 -178.658 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 15.4 tm-20 -64.03 -38.57 91.55 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 178.43 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . 0.592 ' SD ' ' CE1' ' B' ' 50' ' ' PHE . 48.7 mmm -67.66 -39.98 84.52 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.306 -0.861 . . . . 0.0 110.774 179.536 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 1.2 mp -63.01 -39.53 85.55 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.118 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.785 -179.365 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 13.6 tpp85 -62.89 -28.86 70.34 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.408 179.753 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -96.02 -10.3 28.87 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.987 -0.552 . . . . 0.0 111.227 179.788 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 0.582 ' HB1' HG21 ' A' ' 136' ' ' VAL . . . -79.46 -68.01 0.7 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.562 -178.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . 0.471 ' CB ' ' O ' ' A' ' 128' ' ' ALA . 9.5 m-20 156.83 -94.63 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.78 0 CA-C-O 120.961 0.41 . . . . 0.0 111.341 179.467 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 130' ' ' ILE . . . . . 0.717 ' O ' HG22 ' A' ' 130' ' ' ILE . 95.9 mt . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.768 -178.289 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.108 0 CA-C-O 120.029 -0.317 . . . . 0.0 112.608 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 12.6 pt20 -124.64 149.52 47.02 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-N 117.26 0.53 . . . . 0.0 110.789 179.246 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . 0.646 HG23 ' HB2' ' A' ' 102' ' ' ALA . 25.3 t -132.53 135.34 57.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.671 -0.695 . . . . 0.0 112.166 -179.244 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . 0.443 ' OD1' ' O ' ' A' ' 137' ' ' ASN . 7.5 p30 -92.96 110.75 22.22 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.703 -0.68 . . . . 0.0 109.555 178.468 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 41.9 p90 -62.92 -12.08 22.84 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.617 -0.433 . . . . 0.0 111.681 -178.754 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -58.71 -49.63 76.88 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.154 -0.619 . . . . 0.0 110.269 -179.377 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -61.32 -39.93 92.35 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 120.929 -0.308 . . . . 0.0 111.155 -179.348 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -61.81 -42.53 99.13 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.446 -0.501 . . . . 0.0 109.994 179.095 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 54.7 t -64.65 -40.78 90.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 C-N-CA 120.616 -0.434 . . . . 0.0 110.18 178.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 11.0 tp-100 -59.93 -41.49 91.9 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 108.95 -0.759 . . . . 0.0 108.95 179.13 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 69.7 mtp -59.51 -43.15 93.45 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 108.658 -0.867 . . . . 0.0 108.658 179.325 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 68.4 mtt . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 115.491 -0.777 . . . . 0.0 111.797 -179.715 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.581 0.229 . . . . 0.0 110.664 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.92 121.27 60.76 Favored Pre-proline 0 CA--C 1.543 0.687 0 C-N-CA 120.66 -0.416 . . . . 0.0 110.168 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 76.5 Cg_exo -51.64 -35.19 56.27 Favored 'Trans proline' 0 N--CA 1.501 1.962 0 C-N-CA 122.012 1.808 . . . . 0.0 112.962 179.29 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 24.4 pt-20 -55.3 -34.8 64.46 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.317 -178.753 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 97.0 m -61.75 -48.43 80.71 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.738 -0.385 . . . . 0.0 110.747 -179.618 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 25.7 mp0 -64.54 -40.36 95.45 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.236 0.541 . . . . 0.0 109.991 179.172 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 29.7 tpt180 -61.04 -45.45 94.72 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.393 -0.821 . . . . 0.0 110.182 179.592 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -61.46 -39.87 92.45 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.177 179.675 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -61.43 -40.8 95.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.2 179.739 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 58.1 t -62.4 -45.28 99.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.727 -179.564 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 45' ' ' ALA . . . . . 0.453 ' O ' ' OE1' ' B' ' 49' ' ' GLN . . . -60.74 -44.41 96.72 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.783 -0.367 . . . . 0.0 111.021 -179.108 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 90.6 mt -62.69 -46.13 97.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-O 120.88 0.371 . . . . 0.0 110.629 179.709 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 47' ' ' GLN . . . . . 0.575 HE22 ' C ' ' A' ' 113' ' ' GLY . 27.8 mt-30 -65.26 -40.23 93.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.947 179.783 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 48.3 t -60.52 -47.38 86.42 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.551 -179.385 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . 0.453 ' OE1' ' O ' ' B' ' 45' ' ' ALA . 7.1 mp0 -65.91 -36.43 83.38 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.161 178.832 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 50' ' ' PHE . . . . . 0.626 ' CE2' ' NE2' ' B' ' 54' ' ' GLN . 34.1 t80 -59.82 -46.77 88.21 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.978 179.76 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 5.3 mtp180 -60.69 -38.09 83.82 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 120.74 -0.384 . . . . 0.0 110.245 -179.64 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -60.98 -38.05 84.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.896 0.379 . . . . 0.0 110.31 179.512 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 53' ' ' PHE . . . . . . . . . . . . . 68.0 t80 -58.81 -45.43 89.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.148 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 54' ' ' GLN . . . . . 0.626 ' NE2' ' CE2' ' B' ' 50' ' ' PHE . 76.4 mt-30 -61.78 -39.92 93.39 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.949 -179.66 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 59.5 mtpt . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.86 -179.59 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 68.3 m . . . . . 0 CA--C 1.52 -0.19 0 CA-C-O 120.922 0.392 . . . . 0.0 110.311 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.515 ' OE2' ' NH2' ' A' ' 86' ' ' ARG . 88.6 tt0 -57.01 -39.66 75.14 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 179.802 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 3.0 pp20? -62.1 -34.84 77.07 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.389 -0.823 . . . . 0.0 110.501 179.325 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -63.92 -43.42 95.97 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.539 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 4.9 mm -65.22 -41.3 91.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.037 179.769 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.515 ' NH2' ' OE2' ' A' ' 82' ' ' GLU . 99.6 mtt180 -60.44 -36.32 77.93 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.865 -179.838 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 53.8 tp10 -55.82 -39.72 71.77 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.26 -0.645 . . . . 0.0 109.26 -179.646 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.9 -36.44 79.28 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.041 179.504 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 77.9 m-85 -77.88 -42.06 34.62 Favored 'General case' 0 C--N 1.332 -0.193 0 C-N-CA 120.755 -0.378 . . . . 0.0 110.57 178.807 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? -45.63 -30.87 1.65 Allowed 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.33 -179.481 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.465 HG11 HG23 ' B' ' 39' ' ' THR . 53.2 t -61.46 -39.46 82.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.51 179.491 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -85.18 -25.23 27.53 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.609 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 67.8 t0 -90.79 84.83 5.88 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 178.638 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 25.8 tttp -87.52 -22.72 24.7 Favored 'General case' 0 N--CA 1.448 -0.552 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.754 -179.407 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -74.08 -26.54 60.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.992 0.425 . . . . 0.0 109.893 178.784 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 70.56 26.56 73.91 Favored Glycine 0 CA--C 1.526 0.725 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -93.8 -2.9 52.96 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.99 -0.284 . . . . 0.0 111.189 -179.83 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . 0.414 ' C ' ' CD1' ' A' ' 99' ' ' TYR . . . 93.53 9.79 59.82 Favored Glycine 0 CA--C 1.531 1.032 0 N-CA-C 111.355 -0.698 . . . . 0.0 111.355 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.446 ' CD1' ' N ' ' A' ' 99' ' ' TYR . 21.2 m-85 -136.55 158.68 43.86 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-O 121.217 0.532 . . . . 0.0 112.209 -179.647 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.401 HD13 HG21 ' A' ' 100' ' ' ILE . 1.4 pt -130.43 144.25 38.53 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.149 0 N-CA-C 108.435 -0.95 . . . . 0.0 108.435 178.161 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 71.7 m -70.33 104.1 2.59 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 119.821 -0.751 . . . . 0.0 109.04 179.071 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.523 ' HB3' ' O ' ' A' ' 134' ' ' GLY . . . -48.82 -21.22 0.59 Allowed 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 112.501 0.556 . . . . 0.0 112.501 -177.387 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -61.34 -41.03 96.38 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 119.741 -0.783 . . . . 0.0 109.041 178.673 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.716 ' O ' HG23 ' A' ' 108' ' ' VAL . 4.7 pt-20 -73.15 -29.35 62.81 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.176 179.782 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 46.6 tp -61.18 -48.92 79.31 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 -179.765 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . 0.483 ' O ' HG23 ' A' ' 110' ' ' THR . 8.3 tmm_? -57.71 -49.42 76.61 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.466 -179.262 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . 0.527 ' O ' ' N ' ' A' ' 111' ' ' ASN . 86.1 t60 -60.7 -44.22 96.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.35 0.595 . . . . 0.0 109.964 179.552 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.716 HG23 ' O ' ' A' ' 104' ' ' GLU . 58.6 t -62.08 -39.32 83.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 115.143 -0.935 . . . . 0.0 111.123 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -76.77 -22.41 53.79 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.3 -179.599 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . 0.483 HG23 ' O ' ' A' ' 106' ' ' ARG . 71.8 p -106.05 -17.79 14.23 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.734 -0.386 . . . . 0.0 111.766 -178.514 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . 0.527 ' N ' ' O ' ' A' ' 107' ' ' HIS . 57.0 t30 -109.96 -34.96 6.27 Favored 'General case' 0 N--CA 1.466 0.335 0 N-CA-C 112.624 0.602 . . . . 0.0 112.624 -178.486 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.466 ' O ' ' O ' ' A' ' 113' ' ' GLY . 86.6 mt -107.52 140.23 40.83 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-O 120.87 0.367 . . . . 0.0 111.729 -178.752 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . 0.569 ' O ' ' C ' ' A' ' 114' ' ' GLU . . . 55.94 124.3 0.01 OUTLIER Glycine 0 CA--C 1.524 0.612 0 CA-C-N 115.552 -0.749 . . . . 0.0 111.364 179.195 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . 0.569 ' C ' ' O ' ' A' ' 113' ' ' GLY . 98.8 mt-10 13.66 88.14 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.68 0 O-C-N 123.776 0.339 . . . . 0.0 110.957 179.483 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 62.6 mttp -47.45 134.48 11.86 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.621 -177.355 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.614 HD12 ' HB3' ' A' ' 120' ' ' GLU . 4.3 mm? -90.32 157.87 17.43 Favored 'General case' 0 N--CA 1.463 0.178 0 N-CA-C 108.895 -0.779 . . . . 0.0 108.895 178.786 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . 0.536 ' O ' HG23 ' A' ' 121' ' ' VAL . 69.5 p -90.66 168.42 11.79 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.781 -0.368 . . . . 0.0 110.062 179.321 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -59.45 -40.7 87.71 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.799 -0.36 . . . . 0.0 110.598 -179.466 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 53.3 tp10 -62.36 -42.33 99.31 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.095 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . 0.614 ' HB3' HD12 ' A' ' 116' ' ' LEU . 52.6 mt-10 -69.51 -39.78 77.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.119 178.826 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.536 HG23 ' O ' ' A' ' 117' ' ' THR . 66.6 t -64.93 -43.47 96.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.857 179.356 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -59.91 -40.94 90.52 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 120.369 -0.532 . . . . 0.0 109.838 -179.091 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . 0.44 ' OE2' ' NE2' ' B' ' 54' ' ' GLN . 88.6 tt0 -63.83 -40.07 95.72 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 178.37 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . 0.597 ' SD ' ' CD1' ' B' ' 50' ' ' PHE . 47.3 mmm -63.38 -41.42 98.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.401 -0.818 . . . . 0.0 110.357 179.448 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . 0.446 HD13 HG12 ' A' ' 121' ' ' VAL . 0.9 OUTLIER -67.02 -34.25 68.64 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.132 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.612 -179.729 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 1.2 mmp_? -63.19 -32.06 73.36 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.611 -179.741 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -95.56 -10.12 30.47 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.801 179.493 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 0.617 ' HB1' HG21 ' A' ' 136' ' ' VAL . . . -78.66 -74.35 0.28 Allowed 'General case' 0 CA--C 1.533 0.294 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.286 -179.397 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . 0.513 ' CG ' ' N ' ' A' ' 130' ' ' ILE . 28.0 t70 168.26 -107.97 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.891 0 O-C-N 123.675 0.609 . . . . 0.0 110.839 179.118 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 130' ' ' ILE . . . . . 0.731 ' O ' HG22 ' A' ' 130' ' ' ILE . 77.9 mt . . . . . 0 C--N 1.331 -0.23 0 CA-C-N 115.138 -0.937 . . . . 0.0 112.163 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . 0.523 ' O ' ' HB3' ' A' ' 102' ' ' ALA . . . . . . . . 0 CA--C 1.525 0.672 0 N-CA-C 111.701 -0.56 . . . . 0.0 111.701 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 17.0 pt20 -58.49 148.3 28.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 117.572 0.686 . . . . 0.0 111.119 -179.545 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . 0.617 HG21 ' HB1' ' A' ' 128' ' ' ALA . 1.8 t -128.26 134.58 64.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.153 -179.546 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . 0.438 ' OD1' ' O ' ' A' ' 137' ' ' ASN . 37.0 p-10 -93.17 114.69 27.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.861 179.244 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 46.6 p90 -65.07 -9.24 20.77 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 112.196 0.443 . . . . 0.0 112.196 -178.732 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . 0.441 ' HG3' HE21 ' A' ' 143' ' ' GLN . 52.9 tp10 -59.53 -49.86 76.13 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 120.198 -0.601 . . . . 0.0 110.463 -179.182 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . 0.408 ' HG2' HD21 ' A' ' 137' ' ' ASN . 76.9 mm-40 -60.34 -38.37 83.58 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 120.627 0.251 . . . . 0.0 111.049 -179.081 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . 0.434 ' CE1' ' CE ' ' A' ' 144' ' ' MET . 2.1 m-85 -61.3 -43.5 98.76 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 120.514 -0.474 . . . . 0.0 109.869 178.712 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 53.7 t -64.72 -45.39 95.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.637 178.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . 0.441 HE21 ' HG3' ' A' ' 139' ' ' GLU . 52.3 mt-30 -63.08 -41.69 99.47 Favored 'General case' 0 CA--C 1.521 -0.157 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 179.019 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 144' ' ' MET . . . . . 0.434 ' CE ' ' CE1' ' A' ' 141' ' ' PHE . 2.6 ttp -60.73 -46.54 90.04 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.328 -0.851 . . . . 0.0 109.11 178.358 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 8.8 mtm . . . . . 0 C--N 1.324 -0.509 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.783 179.933 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.432 0.158 . . . . 0.0 111.109 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.4 120.93 56.25 Favored Pre-proline 0 CA--C 1.54 0.591 0 C-N-CA 120.594 -0.442 . . . . 0.0 110.494 -179.674 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_exo -51.92 -33.57 52.35 Favored 'Trans proline' 0 N--CA 1.5 1.872 0 C-N-CA 122.023 1.816 . . . . 0.0 112.45 178.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -60.77 -38.41 85.18 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.964 -179.322 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . 0.465 HG23 HG11 ' A' ' 91' ' ' VAL . 98.3 m -60.22 -45.86 91.76 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 120.885 -0.326 . . . . 0.0 110.621 -179.768 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 15.9 tm-20 -62.49 -42.2 99.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.367 -0.378 . . . . 0.0 110.443 179.801 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 31.9 mmt180 -63.07 -38.61 91.89 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.541 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -60.32 -39.1 85.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.38 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -60.65 -40.02 90.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.21 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 59.6 t -61.97 -44.1 98.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.443 -179.56 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -60.38 -45.68 92.68 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.739 -0.384 . . . . 0.0 111.253 -179.155 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 91.5 mt -65.31 -45.09 94.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-O 120.963 0.411 . . . . 0.0 111.054 179.749 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 47' ' ' GLN . . . . . 0.524 ' NE2' ' O ' ' A' ' 113' ' ' GLY . 93.6 mt-30 -63.06 -41.06 99.38 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.36 -179.604 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 74.7 m -61.96 -41.95 98.56 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 120.649 -0.42 . . . . 0.0 110.014 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 73.0 mm-40 -65.98 -39.4 90.33 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.684 179.615 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 50' ' ' PHE . . . . . 0.597 ' CD1' ' SD ' ' A' ' 124' ' ' MET . 39.3 t80 -59.88 -48.24 82.51 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 120.681 -0.408 . . . . 0.0 110.389 179.761 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 43.8 ttm180 -61.36 -41.36 96.95 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.048 0.451 . . . . 0.0 109.795 179.188 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 27.5 tptp -60.94 -38.41 85.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.395 179.786 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 53' ' ' PHE . . . . . . . . . . . . . 51.3 t80 -56.5 -45.74 80.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.551 -179.26 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 54' ' ' GLN . . . . . 0.44 ' NE2' ' OE2' ' A' ' 123' ' ' GLU . 99.4 mm-40 -61.63 -40.12 93.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.517 -179.545 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 68.4 mttm . . . . . 0 C--N 1.33 -0.279 0 CA-C-O 120.764 0.316 . . . . 0.0 110.665 179.789 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 71.0 m . . . . . 0 CA--C 1.521 -0.144 0 CA-C-O 120.611 0.243 . . . . 0.0 111.055 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -57.54 -39.55 76.88 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.405 -0.518 . . . . 0.0 109.721 -179.209 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -64.52 -39.56 93.99 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.73 179.086 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -62.88 -44.95 94.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.191 -179.616 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 4.8 mm -67.45 -43.12 87.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.81 0.338 . . . . 0.0 110.544 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -60.46 -36.29 77.9 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.968 -179.804 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -55.06 -41.23 71.23 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.025 -0.731 . . . . 0.0 109.025 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -59.45 -35.86 74.86 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.752 179.588 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 82.7 m-85 -80.06 -41.24 26.03 Favored 'General case' 0 C--N 1.332 -0.161 0 C-N-CA 120.662 -0.415 . . . . 0.0 110.338 178.653 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -49.85 -26.97 4.51 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.441 -178.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 53.9 t -61.81 -40.25 86.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 N-CA-C 110.075 -0.343 . . . . 0.0 110.075 178.525 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -83.9 -24.92 30.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.706 -179.709 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 65.9 t0 -91.71 84.64 5.47 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 178.569 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 5.2 ttmt -86.38 -18.33 32.11 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.645 -179.185 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 70.8 m-20 -81.84 -25.94 34.7 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.72 -0.392 . . . . 0.0 110.075 179.051 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 70.69 29.76 69.2 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.842 -0.903 . . . . 0.0 110.842 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 17.2 t-20 -92.71 -5.97 50.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.617 0.246 . . . . 0.0 110.88 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . 0.417 ' C ' ' CD1' ' A' ' 99' ' ' TYR . . . 94.28 9.42 59.23 Favored Glycine 0 CA--C 1.529 0.928 0 N-CA-C 111.325 -0.71 . . . . 0.0 111.325 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.424 ' CD1' ' N ' ' A' ' 99' ' ' TYR . 32.9 m-85 -137.53 158.3 44.69 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.133 0.492 . . . . 0.0 111.919 -179.653 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 3.3 pt -130.04 145.6 35.39 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.159 0 N-CA-C 107.485 -1.302 . . . . 0.0 107.485 178.033 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 66.8 m -63.93 136.48 57.39 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 119.809 -0.756 . . . . 0.0 110.693 -179.566 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.567 ' HB2' HG23 ' A' ' 136' ' ' VAL . . . -64.27 -38.47 91.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.949 -179.823 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -59.64 -40.63 88.3 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.951 -177.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.565 ' O ' HG23 ' A' ' 108' ' ' VAL . 4.5 pt-20 -70.22 -27.88 64.83 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 120.45 -0.5 . . . . 0.0 110.49 -179.259 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 24.2 tp -61.28 -50.41 73.13 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . 0.794 ' CZ ' HG11 ' A' ' 121' ' ' VAL . 8.2 tpp180 -55.33 -51.37 66.96 Favored 'General case' 0 N--CA 1.462 0.152 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.181 -179.883 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . 0.582 ' CE1' ' ND2' ' A' ' 111' ' ' ASN . 82.3 t60 -61.87 -47.06 86.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.096 0.474 . . . . 0.0 111.611 179.751 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.565 HG23 ' O ' ' A' ' 104' ' ' GLU . 53.1 t -62.2 -39.86 85.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 115.629 -0.714 . . . . 0.0 112.096 -178.868 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -75.1 -25.19 58.32 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.659 -179.522 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . 0.463 ' CG2' HG21 ' A' ' 121' ' ' VAL . 72.9 p -106.01 -16.94 14.49 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 120.679 -0.408 . . . . 0.0 111.851 -178.647 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . 0.582 ' ND2' ' CE1' ' A' ' 107' ' ' HIS . 59.4 t30 -106.6 -37.19 6.52 Favored 'General case' 0 CA--C 1.533 0.312 0 N-CA-C 112.38 0.511 . . . . 0.0 112.38 -178.765 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.452 ' O ' ' O ' ' A' ' 113' ' ' GLY . 83.9 mt -108.69 140.57 41.91 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-O 120.961 0.41 . . . . 0.0 111.673 -178.698 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . 0.547 ' O ' ' C ' ' A' ' 114' ' ' GLU . . . 57.04 124.23 0.01 OUTLIER Glycine 0 CA--C 1.524 0.605 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.475 179.162 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . 0.547 ' C ' ' O ' ' A' ' 113' ' ' GLY . 43.8 mp0 14.19 88.52 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.658 0 O-C-N 124.054 0.502 . . . . 0.0 110.917 179.481 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 62.6 mttp -47.16 131.46 12.79 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 120.974 0.416 . . . . 0.0 111.556 -177.244 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.634 HD12 ' HB3' ' A' ' 120' ' ' GLU . 4.2 mm? -89.69 156.88 18.26 Favored 'General case' 0 N--CA 1.462 0.142 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 178.869 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . 0.414 ' O ' HG23 ' A' ' 121' ' ' VAL . 64.3 p -88.01 166.97 14.09 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 109.883 -0.414 . . . . 0.0 109.883 179.085 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -59.88 -39.78 86.42 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 120.726 -0.39 . . . . 0.0 110.691 -179.52 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -63.03 -41.06 99.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.903 0.382 . . . . 0.0 110.016 179.753 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . 0.634 ' HB3' HD12 ' A' ' 116' ' ' LEU . 52.3 mt-10 -69.73 -40.01 76.47 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.264 179.07 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.794 HG11 ' CZ ' ' A' ' 106' ' ' ARG . 56.1 t -63.18 -41.93 94.61 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 116.052 -0.522 . . . . 0.0 109.792 178.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 68.1 t0 -59.65 -42.59 93.14 Favored 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 120.548 -0.461 . . . . 0.0 110.305 -179.299 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 -61.94 -40.17 94.6 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.452 0.644 . . . . 0.0 109.46 179.163 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . 0.596 ' SD ' ' CD1' ' B' ' 50' ' ' PHE . 46.3 mmm -64.66 -41.06 96.36 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.041 -0.981 . . . . 0.0 109.889 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . 0.513 HD13 HG12 ' A' ' 121' ' ' VAL . 0.9 OUTLIER -65.5 -37.24 79.55 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.167 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.541 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 17.6 tpp180 -60.14 -34.18 73.18 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.282 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . 0.448 ' CD ' ' SD ' ' A' ' 144' ' ' MET . 64.9 mt-10 -96.34 -2.85 44.93 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.911 179.699 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -86.22 -78.1 0.29 Allowed 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 111.946 0.35 . . . . 0.0 111.946 -179.076 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . 0.505 ' CG ' ' N ' ' A' ' 130' ' ' ILE . 63.9 t0 176.05 -113.6 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.472 0 O-C-N 123.644 0.59 . . . . 0.0 111.062 -179.645 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 130' ' ' ILE . . . . . 0.505 ' N ' ' CG ' ' A' ' 129' ' ' ASP . 67.6 mt . . . . . 0 N--CA 1.455 -0.182 0 CA-C-N 115.048 -0.978 . . . . 0.0 111.257 -179.432 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.746 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 34.1 mm-40 -117.3 166.74 11.93 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-O 120.642 0.258 . . . . 0.0 110.381 -179.8 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . 0.567 HG23 ' HB2' ' A' ' 102' ' ' ALA . 25.6 t -134.95 132.01 53.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.35 179.808 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . 0.444 ' OD1' ' O ' ' A' ' 137' ' ' ASN . 36.0 p-10 -95.89 110.62 22.78 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.742 -0.383 . . . . 0.0 110.106 179.191 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 36.4 p90 -61.83 -10.12 8.36 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 112.065 0.395 . . . . 0.0 112.065 -178.748 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -59.43 -49.24 78.55 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 119.986 -0.686 . . . . 0.0 110.61 -179.043 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -60.48 -41.33 93.99 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.673 0.273 . . . . 0.0 110.983 -179.324 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -60.79 -45.43 94.43 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 120.58 -0.448 . . . . 0.0 110.149 179.512 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 52.9 t -64.59 -40.85 90.48 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.691 179.341 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 11.2 tp-100 -58.1 -43.63 87.24 Favored 'General case' 0 N--CA 1.455 -0.189 0 C-N-CA 120.233 -0.587 . . . . 0.0 109.447 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 144' ' ' MET . . . . . 0.448 ' SD ' ' CD ' ' A' ' 127' ' ' GLU . 73.4 mtm -59.8 -40.15 87.38 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 179.535 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 67.7 mtt . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 115.868 -0.606 . . . . 0.0 111.974 -179.678 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 36.9 t70 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.599 0.238 . . . . 0.0 110.772 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -59.93 123.19 70.87 Favored Pre-proline 0 CA--C 1.54 0.589 0 C-N-CA 120.655 -0.418 . . . . 0.0 110.375 -179.613 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_exo -51.86 -30.74 39.82 Favored 'Trans proline' 0 N--CA 1.5 1.883 0 C-N-CA 121.84 1.693 . . . . 0.0 112.709 179.138 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -60.7 -40.09 90.94 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.154 -178.819 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 98.1 m -61.93 -46.34 89.75 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.443 -0.503 . . . . 0.0 110.525 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -63.54 -41.72 98.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.254 179.767 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 34.6 mmt180 -65.42 -38.73 90.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.315 179.666 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -60.76 -40.68 93.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.25 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -61.73 -39.93 93.28 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.177 179.701 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 66.4 t -61.74 -45.61 98.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.6 -179.35 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 45' ' ' ALA . . . . . 0.548 ' O ' ' NE2' ' B' ' 49' ' ' GLN . . . -61.03 -46.6 90.06 Favored 'General case' 0 C--N 1.332 -0.193 0 C-N-CA 120.776 -0.37 . . . . 0.0 111.367 -178.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 90.4 mt -64.18 -46.19 94.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 121.012 0.434 . . . . 0.0 110.543 179.685 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 47' ' ' GLN . . . . . 0.523 ' NE2' ' O ' ' A' ' 113' ' ' GLY . 94.4 mt-30 -64.76 -41.14 96.12 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.055 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 75.8 m -62.47 -42.43 99.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.981 0.42 . . . . 0.0 110.356 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . 0.548 ' NE2' ' O ' ' B' ' 45' ' ' ALA . 2.3 mp0 -68.29 -37.64 80.87 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.938 -0.573 . . . . 0.0 110.987 179.622 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 50' ' ' PHE . . . . . 0.596 ' CD1' ' SD ' ' A' ' 124' ' ' MET . 37.2 t80 -59.79 -48.09 83.08 Favored 'General case' 0 C--N 1.331 -0.205 0 C-N-CA 120.948 -0.301 . . . . 0.0 111.146 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 91.8 mtm180 -61.67 -40.89 96.54 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.493 -0.483 . . . . 0.0 110.495 -179.78 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -62.9 -38.87 92.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.048 0.451 . . . . 0.0 110.202 179.303 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 53' ' ' PHE . . . . . . . . . . . . . 85.3 t80 -59.25 -47.41 85.44 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.436 -179.724 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -62.58 -40.72 97.77 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.522 -179.659 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 68.4 mttm . . . . . 0 C--N 1.33 -0.24 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.732 179.863 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 85.6 p . . . . . 0 CA--C 1.521 -0.137 0 CA-C-O 120.78 0.324 . . . . 0.0 110.848 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 61.1 mp0 -56.44 -36.55 69.14 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.23 -0.656 . . . . 0.0 109.23 -179.212 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 21.5 pt-20 -66.17 -32.75 74.38 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.825 179.474 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -61.36 -46.24 91.05 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-O 120.922 0.391 . . . . 0.0 111.074 -178.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 4.2 mm -70.2 -33.14 53.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 116.168 -0.469 . . . . 0.0 109.912 178.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 42.5 ttm180 -61.41 -38.81 88.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.803 179.497 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -58.67 -38.81 78.99 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.168 -179.564 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.451 ' HB1' ' HB1' ' B' ' 42' ' ' ALA . . . -60.44 -33.44 72.54 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.609 179.336 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 54.2 m-85 -74.94 -40.23 60.91 Favored 'General case' 0 CA--C 1.528 0.124 0 C-N-CA 120.526 -0.47 . . . . 0.0 110.103 177.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -44.59 -29.33 0.72 Allowed 'General case' 0 CA--C 1.52 -0.195 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.217 -179.627 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 55.8 t -60.4 -39.79 82.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.508 179.514 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 18.1 m-85 -89.02 -27.15 21.04 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.795 -0.362 . . . . 0.0 110.861 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 64.8 t0 -88.04 72.27 9.23 Favored 'General case' 0 C--N 1.332 -0.159 0 N-CA-C 109.557 -0.535 . . . . 0.0 109.557 178.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 65.3 pttt -68.77 -19.9 64.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.958 -179.34 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -83.8 -25.39 30.45 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.716 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 68.46 32.47 75.34 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.288 -1.125 . . . . 0.0 110.288 -179.531 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 57.8 t30 -94.38 -3.91 49.44 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.691 0.282 . . . . 0.0 110.824 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 94.26 5.72 61.91 Favored Glycine 0 CA--C 1.528 0.878 0 N-CA-C 111.422 -0.671 . . . . 0.0 111.422 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.455 ' CD1' ' N ' ' A' ' 99' ' ' TYR . 21.8 m-85 -136.24 158.59 44.06 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.766 0.317 . . . . 0.0 110.902 -179.871 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.411 HD13 HG21 ' A' ' 100' ' ' ILE . 0.2 OUTLIER -131.23 149.59 33.49 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.165 0 N-CA-C 107.434 -1.321 . . . . 0.0 107.434 177.481 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 68.8 m -60.43 134.03 56.67 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 119.911 -0.715 . . . . 0.0 110.412 -179.061 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.639 ' HB2' HG23 ' A' ' 136' ' ' VAL . . . -65.75 -38.0 87.91 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.491 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -60.5 -42.01 95.46 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 112.521 0.563 . . . . 0.0 112.521 -178.115 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.717 ' O ' HG23 ' A' ' 108' ' ' VAL . 6.4 pt-20 -69.26 -29.08 66.9 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.447 -0.501 . . . . 0.0 110.569 -178.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 2.5 tt -61.05 -47.89 84.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 109.853 179.742 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.74 -49.96 73.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.139 -179.296 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . 0.496 ' O ' ' N ' ' A' ' 111' ' ' ASN . 86.5 t60 -61.57 -44.28 97.31 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.264 0.554 . . . . 0.0 110.229 179.515 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.717 HG23 ' O ' ' A' ' 104' ' ' GLU . 64.4 t -61.39 -39.84 84.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.35 -0.841 . . . . 0.0 110.2 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . 0.47 ' N ' ' SD ' ' A' ' 109' ' ' MET . 0.0 OUTLIER -74.52 -25.07 59.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.857 -179.702 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 73.3 p -105.48 -17.21 14.5 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 112.294 0.479 . . . . 0.0 112.294 -178.468 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . 0.496 ' N ' ' O ' ' A' ' 107' ' ' HIS . 63.5 t30 -113.03 -50.39 2.88 Favored 'General case' 0 N--CA 1.469 0.495 0 N-CA-C 112.981 0.734 . . . . 0.0 112.981 -178.375 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.543 HD12 HG22 ' A' ' 108' ' ' VAL . 83.3 mt -86.83 155.28 20.35 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.777 0.322 . . . . 0.0 111.404 -178.394 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 62.24 -111.02 3.62 Favored Glycine 0 CA--C 1.521 0.438 0 C-N-CA 121.035 -0.602 . . . . 0.0 111.605 178.848 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . 0.542 ' CB ' HH22 ' B' ' 51' ' ' ARG . 79.5 mm-40 -99.41 166.54 11.13 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.419 -0.585 . . . . 0.0 109.419 178.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 46.1 mtpt -109.41 104.98 14.16 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.049 0.452 . . . . 0.0 109.782 178.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.557 HD12 ' HB3' ' A' ' 120' ' ' GLU . 4.3 mm? -86.3 151.36 23.66 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 108.677 -0.861 . . . . 0.0 108.677 179.187 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . 0.442 ' OG1' ' OE1' ' A' ' 120' ' ' GLU . 69.1 p -87.78 169.93 11.65 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 120.661 -0.415 . . . . 0.0 109.979 179.39 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . 0.536 ' OD1' ' N ' ' A' ' 119' ' ' GLU . 40.7 p-10 -56.76 -40.95 76.76 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 120.674 -0.41 . . . . 0.0 110.537 -179.746 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . 0.536 ' N ' ' OD1' ' A' ' 118' ' ' ASP . 98.7 mt-10 -62.59 -41.26 98.85 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.622 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . 0.557 ' HB3' HD12 ' A' ' 116' ' ' LEU . 0.5 OUTLIER -71.42 -41.43 69.53 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.919 0.39 . . . . 0.0 110.946 178.649 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 53.3 t -63.74 -42.33 95.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.12 179.766 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -60.55 -40.19 90.71 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.6 -0.44 . . . . 0.0 109.844 179.754 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -62.04 -40.77 96.86 Favored 'General case' 0 CA--C 1.518 -0.264 0 CA-C-O 121.441 0.638 . . . . 0.0 109.629 178.464 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . 0.603 ' SD ' ' CG ' ' B' ' 50' ' ' PHE . 46.0 mmm -64.67 -41.6 95.97 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 114.899 -1.046 . . . . 0.0 110.147 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 1.2 mp -65.33 -37.68 80.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.762 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 42.8 ttm180 -60.12 -33.15 71.73 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.076 0.465 . . . . 0.0 110.045 179.315 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 57.8 mt-10 -95.67 -11.36 27.26 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.969 179.419 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 0.444 ' O ' ' CB ' ' A' ' 129' ' ' ASP . . . -78.18 -67.69 0.71 Allowed 'General case' 0 N--CA 1.463 0.222 0 C-N-CA 120.881 -0.328 . . . . 0.0 111.364 -179.384 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . 0.522 ' OD2' ' ND2' ' A' ' 137' ' ' ASN . 1.2 m-20 163.78 -90.41 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.466 0 CA-C-O 121.12 0.486 . . . . 0.0 112.005 179.861 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 61.0 mt . . . . . 0 C--N 1.327 -0.401 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.737 -177.651 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 N-CA-C 111.605 -0.598 . . . . 0.0 111.605 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -121.14 168.61 11.38 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 120.877 0.37 . . . . 0.0 110.863 -179.405 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . 0.639 HG23 ' HB2' ' A' ' 102' ' ' ALA . 44.9 t -134.3 133.31 55.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.668 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . 0.522 ' ND2' ' OD2' ' A' ' 129' ' ' ASP . 0.0 OUTLIER -94.48 106.53 18.51 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 178.598 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 38.9 p90 -62.17 -14.05 33.6 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.715 -0.394 . . . . 0.0 111.401 -179.13 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -58.8 -49.94 75.82 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.196 -0.602 . . . . 0.0 110.426 -179.287 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 53.0 tp10 -61.04 -42.55 98.69 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.923 -0.311 . . . . 0.0 110.417 -179.497 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -59.48 -48.4 81.78 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.532 -0.467 . . . . 0.0 109.759 179.115 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 75.2 t -63.03 -43.17 98.88 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 C-N-CA 120.73 -0.388 . . . . 0.0 110.274 179.763 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 10.9 tp-100 -60.98 -41.53 96.62 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 108.658 -0.867 . . . . 0.0 108.658 178.673 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 2.0 ttp -65.94 -49.49 67.74 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 115.133 -0.939 . . . . 0.0 110.509 178.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 66.2 mtt . . . . . 0 C--N 1.328 -0.338 0 N-CA-C 112.942 0.719 . . . . 0.0 112.942 -179.295 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 97.3 m-20 . . . . . 0 C--O 1.23 0.063 0 CA-C-O 120.773 0.321 . . . . 0.0 110.569 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -94.03 112.11 55.86 Favored Pre-proline 0 CA--C 1.539 0.554 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.901 -179.689 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 67.4 Cg_exo -52.4 -23.9 20.05 Favored 'Trans proline' 0 N--CA 1.497 1.719 0 C-N-CA 121.928 1.752 . . . . 0.0 111.976 178.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 60.9 mp0 -60.1 -37.98 81.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.353 -179.57 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 94.5 m -60.41 -41.17 93.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.101 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 66.4 mm-40 -60.66 -42.12 96.39 Favored 'General case' 0 C--N 1.331 -0.199 0 C-N-CA 120.866 -0.333 . . . . 0.0 110.416 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 33.4 mmt180 -64.12 -40.89 97.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.968 0.413 . . . . 0.0 110.171 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 42' ' ' ALA . . . . . 0.451 ' HB1' ' HB1' ' A' ' 88' ' ' ALA . . . -65.97 -43.66 87.22 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 120.358 -0.537 . . . . 0.0 110.242 179.33 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.91 -40.71 87.75 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.537 -0.756 . . . . 0.0 112.369 -179.516 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -66.96 -37.6 79.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 C-N-CA 120.668 -0.413 . . . . 0.0 111.05 -178.232 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -63.57 -43.12 97.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.748 0.308 . . . . 0.0 111.151 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 96.7 mt -62.49 -46.52 96.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 121.238 0.542 . . . . 0.0 110.153 -179.716 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 47' ' ' GLN . . . . . 0.504 ' NE2' ' O ' ' A' ' 114' ' ' GLU . 81.2 mt-30 -63.35 -39.87 95.72 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.371 -0.832 . . . . 0.0 111.36 -179.753 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 94.2 p -63.46 -38.76 92.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.785 0.326 . . . . 0.0 110.755 -179.846 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 96.0 mm-40 -65.92 -38.47 88.77 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.456 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 50' ' ' PHE . . . . . 0.603 ' CG ' ' SD ' ' A' ' 124' ' ' MET . 30.9 t80 -58.56 -48.45 80.87 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 120.529 -0.468 . . . . 0.0 110.597 -179.356 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 51' ' ' ARG . . . . . 0.542 HH22 ' CB ' ' A' ' 114' ' ' GLU . 79.7 mtt85 -61.65 -40.19 94.03 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.797 -0.361 . . . . 0.0 110.62 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -64.26 -40.92 96.97 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.678 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 53' ' ' PHE . . . . . . . . . . . . . 73.3 t80 -60.03 -46.59 89.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.089 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 30.1 mm100 -62.0 -39.93 93.91 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.415 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 65.0 tttp . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.364 -179.844 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 85.2 p . . . . . 0 CA--C 1.522 -0.131 0 CA-C-O 120.982 0.42 . . . . 0.0 110.34 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -54.32 -39.49 67.09 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.124 -0.489 . . . . 0.0 109.781 -179.424 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 23.3 pt-20 -63.89 -36.16 83.03 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.588 179.442 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -62.41 -47.01 85.99 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.748 -179.44 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 4.9 mm -66.53 -39.08 83.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 121.242 0.544 . . . . 0.0 109.718 179.34 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 42.2 ttm180 -58.19 -39.32 78.64 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.17 -0.923 . . . . 0.0 110.922 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -57.73 -40.1 78.82 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 -179.785 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.55 -38.86 89.02 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.142 179.6 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 54.4 m-85 -73.95 -42.45 60.5 Favored 'General case' 0 C--N 1.332 -0.161 0 C-N-CA 120.576 -0.45 . . . . 0.0 110.693 178.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 93.9 mtt-85 -49.24 -24.57 1.83 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.595 -178.636 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 56.3 t -62.53 -39.74 85.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.573 178.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 37.6 m-85 -82.12 -18.68 42.08 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 120.881 -0.328 . . . . 0.0 110.694 -179.782 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.448 ' OD1' ' OD1' ' A' ' 95' ' ' ASP . 64.6 t0 -96.49 97.09 9.14 Favored 'General case' 0 CA--C 1.53 0.211 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 179.379 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 64.8 pttt -79.26 -20.82 47.17 Favored 'General case' 0 N--CA 1.463 0.18 0 N-CA-C 113.574 0.953 . . . . 0.0 113.574 -178.407 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . 0.448 ' OD1' ' OD1' ' A' ' 93' ' ' ASP . 54.5 p30 -104.91 5.72 33.1 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.199 0.524 . . . . 0.0 110.322 179.67 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 43.84 43.03 6.59 Favored Glycine 0 CA--C 1.526 0.777 0 N-CA-C 109.923 -1.271 . . . . 0.0 109.923 179.411 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 63.2 t30 -90.12 -1.86 58.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.87 0.367 . . . . 0.0 110.835 -179.444 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 94.26 5.44 62.1 Favored Glycine 0 CA--C 1.525 0.712 0 C-N-CA 120.97 -0.633 . . . . 0.0 111.676 179.755 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.466 ' CD1' ' N ' ' A' ' 99' ' ' TYR . 14.0 m-85 -137.37 158.25 44.82 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-N 117.036 0.418 . . . . 0.0 110.577 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.409 HG21 HD13 ' A' ' 100' ' ' ILE . 0.4 OUTLIER -131.88 152.93 37.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 N-CA-C 107.688 -1.227 . . . . 0.0 107.688 177.908 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 42.2 t -63.61 127.05 29.62 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 119.759 -0.776 . . . . 0.0 110.298 -179.589 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.504 ' HB2' HG23 ' A' ' 136' ' ' VAL . . . -61.28 -35.58 77.69 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.03 -179.614 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -58.68 -49.86 76.01 Favored 'General case' 0 CA--C 1.533 0.291 0 N-CA-C 112.115 0.413 . . . . 0.0 112.115 -178.125 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.569 ' O ' HG23 ' A' ' 108' ' ' VAL . 5.6 pt-20 -61.59 -27.65 68.79 Favored 'General case' 0 C--N 1.332 -0.159 0 C-N-CA 120.204 -0.599 . . . . 0.0 110.741 -178.723 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 14.2 tp -60.96 -51.19 70.29 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.198 -0.667 . . . . 0.0 109.198 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . 0.567 ' HD3' HG11 ' A' ' 121' ' ' VAL . 15.1 tpt180 -55.1 -51.81 65.23 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.826 -179.734 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . 0.401 ' O ' ' CB ' ' A' ' 111' ' ' ASN . 73.4 t60 -62.6 -48.68 78.37 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.9 0.381 . . . . 0.0 111.798 179.419 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.569 HG23 ' O ' ' A' ' 104' ' ' GLU . 59.1 t -61.64 -43.22 96.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.807 -0.633 . . . . 0.0 112.63 -178.412 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.62 -30.12 70.32 Favored 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 120.933 -0.307 . . . . 0.0 111.709 -179.279 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . 0.608 ' CG2' HG21 ' A' ' 121' ' ' VAL . 49.4 p -104.51 -6.73 20.33 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 120.65 -0.42 . . . . 0.0 112.022 -178.552 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . 0.401 ' CB ' ' O ' ' A' ' 107' ' ' HIS . 28.6 t-20 -107.72 -45.57 3.99 Favored 'General case' 0 N--CA 1.464 0.262 0 C-N-CA 120.782 -0.367 . . . . 0.0 111.486 -179.667 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 68.1 mt -105.91 -178.77 3.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.47 0.652 . . . . 0.0 111.622 -178.836 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 63.6 -124.41 31.15 Favored Glycine 0 CA--C 1.526 0.748 0 CA-C-N 114.854 -1.066 . . . . 0.0 112.83 178.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . 0.496 ' N ' ' OE1' ' B' ' 47' ' ' GLN . 99.5 mt-10 -98.71 17.91 18.15 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.499 -0.351 . . . . 0.0 111.523 -178.674 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.473 ' O ' ' O ' ' A' ' 114' ' ' GLU . 50.9 mttp 44.69 104.21 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.949 -0.568 . . . . 0.0 111.348 179.207 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.633 HD12 ' HB3' ' A' ' 120' ' ' GLU . 4.5 mm? -96.59 155.78 16.62 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.07 -0.513 . . . . 0.0 109.99 179.145 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . 0.435 ' OG1' ' OE1' ' A' ' 120' ' ' GLU . 70.2 p -93.03 170.62 9.51 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 178.764 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -59.22 -39.89 84.11 Favored 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 120.736 -0.386 . . . . 0.0 110.974 -179.181 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 75.6 mm-40 -62.22 -43.53 98.63 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 120.499 -0.48 . . . . 0.0 110.892 -179.733 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . 0.633 ' HB3' HD12 ' A' ' 116' ' ' LEU . 1.0 OUTLIER -68.31 -42.08 79.91 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.806 0.336 . . . . 0.0 111.002 179.278 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.608 HG21 ' CG2' ' A' ' 110' ' ' THR . 70.6 t -63.87 -45.79 96.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.456 . . . . 0.0 109.971 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -54.59 -38.14 66.36 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 120.175 -0.61 . . . . 0.0 109.881 -178.263 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 75.4 mm-40 -61.91 -38.76 89.6 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.195 -0.669 . . . . 0.0 109.195 178.363 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . 0.611 ' SD ' ' CD1' ' B' ' 50' ' ' PHE . 26.1 mmm -69.39 -40.34 77.45 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.352 -0.84 . . . . 0.0 111.097 179.86 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . 0.606 HD13 HG12 ' A' ' 121' ' ' VAL . 1.3 mp -61.7 -42.13 93.13 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.246 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.034 -179.345 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 44.1 ttm180 -60.9 -31.58 71.08 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.045 0.45 . . . . 0.0 110.064 179.638 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -96.7 1.84 51.43 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.768 179.306 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -92.38 -83.94 0.29 Allowed 'General case' 0 CA--C 1.532 0.274 0 N-CA-C 112.037 0.384 . . . . 0.0 112.037 -178.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . 0.463 ' CG ' ' N ' ' A' ' 130' ' ' ILE . 29.0 t70 -179.74 -104.52 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.418 0 CA-C-O 121.299 0.571 . . . . 0.0 111.589 -179.461 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 130' ' ' ILE . . . . . 0.659 ' O ' HG22 ' A' ' 130' ' ' ILE . 73.4 mt . . . . . 0 N--CA 1.454 -0.239 0 CA-C-N 115.184 -0.916 . . . . 0.0 111.022 -179.247 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.921 0 N-CA-C 112.141 -0.384 . . . . 0.0 112.141 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -116.96 157.27 26.03 Favored 'General case' 0 N--CA 1.465 0.323 0 N-CA-C 109.876 -0.416 . . . . 0.0 109.876 178.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . 0.504 HG23 ' HB2' ' A' ' 102' ' ' ALA . 25.7 t -131.88 130.95 61.86 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.142 0 CA-C-O 120.87 0.367 . . . . 0.0 111.852 -179.695 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . 0.447 ' OD1' ' O ' ' A' ' 137' ' ' ASN . 8.3 p30 -86.28 107.59 18.02 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.387 -0.597 . . . . 0.0 109.387 178.625 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 41.1 p90 -64.89 -10.14 26.42 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 120.523 -0.471 . . . . 0.0 112.174 -178.42 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -60.14 -49.56 77.15 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 119.929 -0.708 . . . . 0.0 110.855 -179.304 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 52.6 tp10 -61.69 -43.25 99.22 Favored 'General case' 0 N--CA 1.464 0.244 0 C-N-CA 121.092 -0.243 . . . . 0.0 111.075 -179.129 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -59.05 -45.02 91.82 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 110.043 -0.354 . . . . 0.0 110.043 179.466 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 53.9 t -64.79 -44.23 96.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.335 179.107 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 11.0 tp-100 -61.87 -41.37 97.78 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 108.805 -0.813 . . . . 0.0 108.805 178.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 2.6 ttt -65.36 -49.71 68.33 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.083 -0.962 . . . . 0.0 109.983 178.55 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.621 -0.263 . . . . 0.0 110.936 179.834 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 66.9 t0 . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.442 0.163 . . . . 0.0 110.946 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.5 137.37 92.41 Favored Pre-proline 0 CA--C 1.536 0.428 0 C-N-CA 120.523 -0.471 . . . . 0.0 109.776 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -69.0 -22.0 36.23 Favored 'Trans proline' 0 N--CA 1.494 1.517 0 C-N-CA 122.168 1.912 . . . . 0.0 112.872 -179.153 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -62.5 -41.61 98.94 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.04 -179.511 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 91.8 m -64.81 -45.21 87.18 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.727 -0.389 . . . . 0.0 110.623 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -63.55 -40.95 98.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.443 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 18.0 mmm180 -63.94 -40.46 96.5 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.275 179.765 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -62.31 -39.99 94.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.428 179.733 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -61.31 -39.82 91.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.456 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 55.4 t -61.62 -45.93 97.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.479 -179.616 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -61.07 -46.58 90.11 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.744 -0.382 . . . . 0.0 111.164 -179.095 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 93.6 mt -65.2 -47.21 88.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 C-N-CA 120.675 -0.41 . . . . 0.0 110.911 179.785 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 47' ' ' GLN . . . . . 0.496 ' OE1' ' N ' ' A' ' 114' ' ' GLU . 77.5 mt-30 -65.78 -40.58 92.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.312 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 48.3 t -62.12 -45.54 93.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.997 0.427 . . . . 0.0 110.677 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 96.9 mm-40 -64.86 -38.29 90.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.184 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 50' ' ' PHE . . . . . 0.611 ' CD1' ' SD ' ' A' ' 124' ' ' MET . 37.2 t80 -58.5 -48.28 81.33 Favored 'General case' 0 C--N 1.332 -0.188 0 C-N-CA 120.599 -0.44 . . . . 0.0 110.464 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 51' ' ' ARG . . . . . 0.408 ' HA ' HE21 ' B' ' 54' ' ' GLN . 99.5 mtt180 -62.26 -39.71 93.81 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.067 0.46 . . . . 0.0 109.774 179.353 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 39.4 ttmt -65.76 -38.06 88.04 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.837 179.393 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 53' ' ' PHE . . . . . . . . . . . . . 67.9 t80 -57.52 -49.37 76.54 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.998 -178.328 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 54' ' ' GLN . . . . . 0.408 HE21 ' HA ' ' B' ' 51' ' ' ARG . 24.9 pt20 -68.42 -34.77 76.59 Favored 'General case' 0 C--N 1.332 -0.185 0 C-N-CA 120.205 -0.598 . . . . 0.0 111.064 -179.577 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 62.3 mttp . . . . . 0 C--N 1.329 -0.283 0 C-N-CA 120.788 -0.365 . . . . 0.0 110.576 179.016 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 66.2 m . . . . . 0 N--CA 1.462 0.139 0 CA-C-O 120.779 0.323 . . . . 0.0 110.831 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -55.87 -36.75 67.94 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 -179.012 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 23.2 pt-20 -67.77 -26.29 66.04 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.306 -0.861 . . . . 0.0 111.327 179.613 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -61.85 -46.2 90.48 Favored 'General case' 0 N--CA 1.463 0.223 0 C-N-CA 120.812 -0.355 . . . . 0.0 110.768 -178.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 2.1 mt -75.2 -26.02 18.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-O 121.152 0.501 . . . . 0.0 110.161 179.637 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 80.3 ttt180 -61.49 -43.01 99.63 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.398 -0.593 . . . . 0.0 109.398 178.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -59.92 -40.5 89.09 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.642 -0.708 . . . . 0.0 109.607 179.341 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.751 ' O ' HG12 ' A' ' 91' ' ' VAL . . . -60.96 -36.01 78.26 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.737 -0.665 . . . . 0.0 109.952 179.075 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.443 ' O ' ' OD1' ' A' ' 93' ' ' ASP . 33.2 m-85 -71.34 -42.69 68.22 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.503 -0.479 . . . . 0.0 110.264 178.575 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -44.08 -36.15 2.44 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.474 -178.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.751 HG12 ' O ' ' A' ' 88' ' ' ALA . 8.7 p -55.84 -30.82 28.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 C-N-CA 120.368 -0.533 . . . . 0.0 110.533 -179.448 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 40.2 m-85 -96.31 -29.89 13.73 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 179.764 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.564 ' N ' ' OD1' ' A' ' 93' ' ' ASP . 0.0 OUTLIER -86.59 62.69 7.56 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-O 121.437 0.637 . . . . 0.0 109.59 179.814 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 26.6 pttm -71.41 -20.7 62.09 Favored 'General case' 0 C--N 1.33 -0.271 0 O-C-N 121.919 -0.488 . . . . 0.0 111.532 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -75.08 -26.21 59.16 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.448 179.691 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 70.12 25.22 75.91 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.776 -0.93 . . . . 0.0 110.776 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 53.2 p-10 -92.3 -3.92 54.72 Favored 'General case' 0 C--N 1.331 -0.229 0 C-N-CA 120.903 -0.319 . . . . 0.0 110.962 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 95.04 -2.8 66.39 Favored Glycine 0 CA--C 1.531 1.04 0 C-N-CA 121.031 -0.604 . . . . 0.0 111.688 179.707 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.466 ' CD1' ' N ' ' A' ' 99' ' ' TYR . 10.9 m-85 -125.12 159.04 32.38 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 121.37 0.605 . . . . 0.0 111.823 -178.636 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.534 HG22 ' OD1' ' A' ' 93' ' ' ASP . 0.2 OUTLIER -129.51 143.22 41.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 N-CA-C 107.633 -1.247 . . . . 0.0 107.633 178.169 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 68.3 m -61.32 134.03 56.51 Favored 'General case' 0 C--N 1.323 -0.581 0 C-N-CA 119.484 -0.886 . . . . 0.0 109.933 -179.425 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.667 ' HB2' HG23 ' A' ' 136' ' ' VAL . . . -62.67 -38.65 91.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.952 0.406 . . . . 0.0 110.708 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -59.75 -40.78 89.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.754 -179.173 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -64.42 -39.86 94.66 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.677 -0.238 . . . . 0.0 110.866 179.431 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 51.0 tp -60.02 -47.12 87.16 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.652 -0.419 . . . . 0.0 110.17 -179.11 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . 0.531 ' O ' HG23 ' A' ' 110' ' ' THR . 6.2 tmm_? -58.29 -49.35 77.46 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.632 -0.427 . . . . 0.0 110.92 -178.826 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 75.3 t60 -60.29 -47.43 86.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.077 0.465 . . . . 0.0 111.124 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.449 HG22 HD12 ' A' ' 112' ' ' LEU . 55.7 t -60.62 -36.05 67.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-N 115.523 -0.762 . . . . 0.0 111.468 -179.681 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . 0.485 ' N ' ' SD ' ' A' ' 109' ' ' MET . 0.0 OUTLIER -81.29 -20.94 39.77 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 111.962 0.356 . . . . 0.0 111.962 -179.361 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . 0.531 HG23 ' O ' ' A' ' 106' ' ' ARG . 55.5 p -103.85 -22.29 13.53 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 120.288 -0.565 . . . . 0.0 110.973 -179.246 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 29.5 t-20 -108.98 -47.93 3.36 Favored 'General case' 0 N--CA 1.464 0.27 0 N-CA-C 112.502 0.556 . . . . 0.0 112.502 -178.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.481 ' O ' ' O ' ' A' ' 113' ' ' GLY . 90.6 mt -94.69 143.35 26.51 Favored 'General case' 0 N--CA 1.465 0.323 0 N-CA-C 112.411 0.523 . . . . 0.0 112.411 -178.121 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . 0.546 ' O ' ' C ' ' A' ' 114' ' ' GLU . . . 54.24 124.56 0.01 OUTLIER Glycine 0 CA--C 1.524 0.622 0 CA-C-N 115.035 -0.984 . . . . 0.0 111.699 178.831 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . 0.546 ' C ' ' O ' ' A' ' 113' ' ' GLY . 45.8 mp0 14.28 86.16 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.673 0 O-C-N 123.985 0.462 . . . . 0.0 111.134 179.211 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -47.52 132.53 13.61 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.177 0.513 . . . . 0.0 111.626 -177.643 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.652 HD12 ' HB3' ' A' ' 120' ' ' GLU . 4.3 mm? -91.01 159.0 16.37 Favored 'General case' 0 C--O 1.231 0.117 0 N-CA-C 108.238 -1.023 . . . . 0.0 108.238 177.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . 0.453 ' OG1' ' OE1' ' A' ' 120' ' ' GLU . 72.3 p -93.4 172.07 8.51 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 120.512 -0.475 . . . . 0.0 110.114 179.416 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -59.06 -41.72 88.62 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.029 -179.332 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -62.81 -42.32 99.67 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.943 -0.303 . . . . 0.0 110.904 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . 0.652 ' HB3' HD12 ' A' ' 116' ' ' LEU . 0.7 OUTLIER -67.71 -46.88 70.95 Favored 'General case' 0 C--N 1.332 -0.192 0 C-N-CA 120.722 -0.391 . . . . 0.0 110.764 179.137 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.617 HG12 HD13 ' A' ' 125' ' ' ILE . 68.0 t -63.58 -42.52 96.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.104 -179.701 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -56.03 -39.37 71.85 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.006 -0.678 . . . . 0.0 109.476 -179.006 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 53.3 tp10 -63.23 -38.1 89.86 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.238 -0.652 . . . . 0.0 109.238 178.169 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . 0.423 ' CG ' ' CZ ' ' B' ' 50' ' ' PHE . 96.1 mtp -70.08 -39.53 75.53 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.75 179.821 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . 0.617 HD13 HG12 ' A' ' 121' ' ' VAL . 1.2 mp -59.47 -38.48 75.42 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.138 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.654 -179.585 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 83.8 mtp180 -67.83 -26.61 66.14 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.866 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 -96.14 -11.32 26.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.873 179.69 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 0.664 ' HB1' HG21 ' A' ' 136' ' ' VAL . . . -77.68 -66.96 0.77 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.65 -178.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . 0.483 ' CG ' ' O ' ' A' ' 128' ' ' ALA . 13.0 m-20 155.76 -99.32 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.862 0 O-C-N 123.428 0.455 . . . . 0.0 110.774 179.797 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 62.2 mt . . . . . 0 C--N 1.332 -0.17 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.202 -179.208 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.56 0 N-CA-C 111.671 -0.572 . . . . 0.0 111.671 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 83.3 mm-40 -120.76 149.98 41.69 Favored 'General case' 0 CA--C 1.52 -0.193 0 N-CA-C 108.877 -0.786 . . . . 0.0 108.877 178.225 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . 0.667 HG23 ' HB2' ' A' ' 102' ' ' ALA . 43.0 t -127.98 134.77 64.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-O 121.13 0.491 . . . . 0.0 112.195 -178.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . 0.434 ' OD1' ' O ' ' A' ' 137' ' ' ASN . 35.3 p-10 -93.72 111.21 22.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.59 -0.732 . . . . 0.0 109.334 178.649 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 43.1 p90 -61.41 -10.97 8.53 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 120.495 -0.482 . . . . 0.0 112.032 -178.61 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -58.9 -50.19 74.97 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 119.794 -0.762 . . . . 0.0 110.123 -179.259 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 52.6 tp10 -60.4 -43.14 96.97 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 121.038 -0.265 . . . . 0.0 110.789 -179.371 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -60.66 -42.49 97.14 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 120.26 -0.576 . . . . 0.0 110.2 179.473 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 47.5 t -63.68 -40.84 90.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 C-N-CA 120.639 -0.424 . . . . 0.0 110.477 178.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -62.3 -40.27 95.74 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.47 -0.566 . . . . 0.0 109.47 179.215 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 71.2 mtp -59.71 -44.19 93.82 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 178.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 55.8 mtt . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 115.356 -0.838 . . . . 0.0 111.864 -179.586 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 55.1 p30 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.61 0.243 . . . . 0.0 111.309 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -89.05 116.91 67.6 Favored Pre-proline 0 CA--C 1.539 0.536 0 C-N-CA 120.785 -0.366 . . . . 0.0 110.202 179.565 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 82.6 Cg_exo -50.01 -28.67 19.54 Favored 'Trans proline' 0 N--CA 1.497 1.707 0 C-N-CA 121.723 1.615 . . . . 0.0 112.107 179.274 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -60.99 -39.87 91.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.667 -179.501 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 92.6 m -63.34 -42.15 98.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.822 0.344 . . . . 0.0 110.219 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 53.9 tp10 -60.64 -43.47 97.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 109.978 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 18.1 mmm180 -62.73 -40.69 97.98 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.781 -0.368 . . . . 0.0 110.072 179.729 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -62.45 -40.93 98.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.343 179.571 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -61.81 -41.92 98.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.467 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 44' ' ' VAL . . . . . 0.468 HG22 ' OE1' ' A' ' 114' ' ' GLU . 61.0 t -63.89 -45.25 97.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.817 -179.441 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -60.75 -43.67 97.66 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.919 -0.313 . . . . 0.0 111.44 -178.741 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 46' ' ' ILE . . . . . 0.439 HG21 ' CE ' ' A' ' 109' ' ' MET . 91.9 mt -63.0 -47.03 94.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-O 121.004 0.43 . . . . 0.0 110.621 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 47' ' ' GLN . . . . . 0.517 ' NE2' ' O ' ' A' ' 113' ' ' GLY . 84.5 mt-30 -65.13 -40.39 94.37 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.791 -0.641 . . . . 0.0 111.465 -179.4 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 48.4 t -60.7 -46.4 90.53 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.501 -179.366 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -65.55 -38.63 90.15 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.67 -0.493 . . . . 0.0 109.67 179.38 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 50' ' ' PHE . . . . . 0.423 ' CZ ' ' CG ' ' A' ' 124' ' ' MET . 53.0 t80 -60.28 -39.71 87.85 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.714 179.877 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 44.6 ttm180 -58.51 -42.34 87.46 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 110.088 -0.338 . . . . 0.0 110.088 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 40.2 ttmt -60.84 -39.7 90.05 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.024 0.44 . . . . 0.0 110.032 179.478 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 53' ' ' PHE . . . . . . . . . . . . . 55.2 t80 -59.59 -38.97 82.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.648 -179.74 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 54' ' ' GLN . . . . . 0.421 ' OE1' ' CE2' ' B' ' 50' ' ' PHE . 26.1 mt-30 -60.92 -38.85 87.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.653 -179.488 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 2.3 mmmm . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.54 -179.72 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 68.0 m . . . . . 0 CA--C 1.522 -0.098 0 CA-C-O 120.92 0.391 . . . . 0.0 110.262 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -57.35 -39.21 75.49 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -69.42 -31.88 70.5 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.693 -0.685 . . . . 0.0 111.217 179.283 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -61.79 -43.71 98.31 Favored 'General case' 0 C--O 1.233 0.236 0 C-N-CA 120.415 -0.514 . . . . 0.0 110.519 -179.298 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 3.1 mm -70.54 -31.41 46.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.1 -0.5 . . . . 0.0 109.814 178.75 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 41.8 ttm180 -62.49 -37.93 87.91 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.593 -0.731 . . . . 0.0 110.287 179.106 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -58.45 -37.36 75.28 Favored 'General case' 0 C--N 1.334 -0.103 0 CA-C-N 116.045 -0.525 . . . . 0.0 109.802 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -59.74 -32.24 70.37 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.336 179.134 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.442 ' O ' ' OD1' ' A' ' 93' ' ' ASP . 72.4 m-85 -77.88 -38.18 46.44 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 120.611 -0.436 . . . . 0.0 110.321 178.035 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 1.8 mpt_? -47.96 -29.15 3.17 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.655 -179.425 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 48.4 t -60.06 -38.93 78.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-O 120.929 0.395 . . . . 0.0 110.161 179.255 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.405 ' CD1' ' OE1' ' A' ' 104' ' ' GLU . 22.5 m-85 -89.0 -24.96 22.25 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.336 179.769 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.568 ' N ' ' OD1' ' A' ' 93' ' ' ASP . 0.0 OUTLIER -85.84 62.95 7.77 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-O 121.12 0.486 . . . . 0.0 110.394 -179.475 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 16.6 ptpt -69.8 -24.21 63.45 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.863 -0.335 . . . . 0.0 111.883 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . 0.527 ' OD1' ' N ' ' A' ' 96' ' ' GLY . 55.0 p-10 -72.8 -25.47 61.16 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.764 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . 0.527 ' N ' ' OD1' ' A' ' 95' ' ' ASP . . . 69.26 25.45 75.44 Favored Glycine 0 CA--C 1.526 0.75 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 57.5 t30 -94.01 -7.67 42.11 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.658 0.266 . . . . 0.0 110.963 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 95.83 8.2 58.29 Favored Glycine 0 CA--C 1.529 0.932 0 N-CA-C 111.091 -0.804 . . . . 0.0 111.091 -179.681 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.455 ' CD1' ' N ' ' A' ' 99' ' ' TYR . 12.6 m-85 -133.5 156.39 47.85 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-O 121.168 0.509 . . . . 0.0 111.992 -179.11 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.516 HG22 ' OD1' ' A' ' 93' ' ' ASP . 0.1 OUTLIER -130.7 143.51 40.69 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.152 0 N-CA-C 107.7 -1.222 . . . . 0.0 107.7 177.896 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 41.4 t -59.47 135.9 57.81 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 119.917 -0.713 . . . . 0.0 110.295 -179.397 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.532 ' HB2' HG23 ' A' ' 136' ' ' VAL . . . -63.71 -37.75 88.52 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.026 0.441 . . . . 0.0 110.923 179.768 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -59.33 -41.71 89.75 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.724 -0.671 . . . . 0.0 112.777 -177.764 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.663 ' O ' HG23 ' A' ' 108' ' ' VAL . 0.6 OUTLIER -67.83 -29.43 68.58 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.162 -0.615 . . . . 0.0 110.65 -179.371 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 23.3 tp -62.56 -48.44 79.45 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.057 -0.52 . . . . 0.0 109.638 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 8.5 tmm_? -58.43 -50.14 74.76 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.617 -179.092 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . 0.546 ' ND1' ' OD1' ' A' ' 111' ' ' ASN . 62.3 t60 -61.13 -47.0 88.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.411 0.624 . . . . 0.0 110.619 179.704 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.663 HG23 ' O ' ' A' ' 104' ' ' GLU . 56.3 t -60.79 -38.3 78.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 115.038 -0.983 . . . . 0.0 111.181 -179.342 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . 0.416 ' N ' ' SD ' ' A' ' 109' ' ' MET . 0.0 OUTLIER -76.01 -25.78 56.05 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.625 -179.538 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 58.7 p -104.53 -17.22 14.8 Favored 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 120.513 -0.475 . . . . 0.0 112.201 -178.303 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . 0.546 ' OD1' ' ND1' ' A' ' 107' ' ' HIS . 26.4 m120 -113.1 -49.49 2.92 Favored 'General case' 0 N--CA 1.469 0.52 0 N-CA-C 113.27 0.841 . . . . 0.0 113.27 -178.478 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.491 ' O ' ' O ' ' A' ' 113' ' ' GLY . 89.5 mt -88.14 148.68 24.31 Favored 'General case' 0 N--CA 1.467 0.377 0 C-N-CA 120.86 -0.336 . . . . 0.0 111.445 -178.608 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . 0.562 ' O ' ' NE2' ' B' ' 47' ' ' GLN . . . 41.23 101.41 0.01 OUTLIER Glycine 0 C--N 1.336 0.567 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 179.439 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . 0.504 ' O ' ' O ' ' A' ' 113' ' ' GLY . 97.6 mt-10 52.26 165.3 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 117.096 0.448 . . . . 0.0 110.325 179.53 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -124.02 118.77 27.73 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.835 -0.346 . . . . 0.0 111.089 -179.312 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.607 HD12 ' HB3' ' A' ' 120' ' ' GLU . 4.5 mm? -85.92 155.08 21.07 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 108.665 -0.865 . . . . 0.0 108.665 178.41 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . 0.441 ' OG1' ' OE1' ' A' ' 120' ' ' GLU . 70.7 p -90.49 171.93 9.07 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.635 -0.426 . . . . 0.0 109.933 179.425 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -58.35 -42.64 87.36 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.875 -0.33 . . . . 0.0 110.653 -179.568 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -61.84 -40.3 94.81 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.953 -179.548 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . 0.607 ' HB3' HD12 ' A' ' 116' ' ' LEU . 0.5 OUTLIER -71.68 -40.74 69.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.049 0.452 . . . . 0.0 110.423 178.433 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.417 HG23 ' O ' ' A' ' 117' ' ' THR . 53.2 t -65.24 -41.5 91.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.085 179.784 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 68.2 t0 -59.23 -42.02 90.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.153 -179.116 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -61.74 -37.14 83.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.387 0.613 . . . . 0.0 110.363 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . 0.596 ' SD ' ' CD1' ' B' ' 50' ' ' PHE . 2.4 mmm -77.28 -33.05 55.9 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.11 -0.95 . . . . 0.0 110.225 179.314 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . 0.594 HG13 HD11 ' A' ' 130' ' ' ILE . 0.1 OUTLIER -66.56 -36.52 77.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.145 -178.428 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 5.9 tpt180 -63.23 -63.52 1.17 Allowed 'General case' 0 C--N 1.332 -0.157 0 C-N-CA 120.407 -0.517 . . . . 0.0 110.01 -179.152 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -59.76 -8.6 2.18 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.664 -178.734 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 0.639 ' HB1' ' CG2' ' A' ' 136' ' ' VAL . . . -74.05 -69.18 0.46 Allowed 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.858 -0.337 . . . . 0.0 111.138 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . 0.465 ' CB ' ' O ' ' A' ' 128' ' ' ALA . 6.9 m-20 157.67 -88.95 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.679 0 CA-C-O 121.038 0.447 . . . . 0.0 110.703 179.847 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 130' ' ' ILE . . . . . 0.594 HD11 HG13 ' A' ' 125' ' ' ILE . 73.7 mt . . . . . 0 C--N 1.327 -0.391 0 CA-C-N 115.443 -0.799 . . . . 0.0 111.615 -179.638 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.534 0 N-CA-C 111.95 -0.46 . . . . 0.0 111.95 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 16.7 pt20 -126.1 142.91 51.32 Favored 'General case' 0 CA--C 1.517 -0.323 0 CA-C-O 121.234 0.54 . . . . 0.0 110.346 178.627 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . 0.639 ' CG2' ' HB1' ' A' ' 128' ' ' ALA . 55.3 t -129.7 134.72 62.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 115.07 -0.968 . . . . 0.0 112.186 -178.572 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 55.3 t-20 -94.02 109.36 21.11 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.029 -1.1 . . . . 0.0 108.029 177.835 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . 0.482 ' CE2' ' OD2' ' A' ' 93' ' ' ASP . 40.5 p90 -61.62 -9.93 7.18 Favored 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 120.558 -0.457 . . . . 0.0 112.096 -178.234 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 75.4 mm-40 -59.84 -50.15 74.91 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 119.661 -0.816 . . . . 0.0 110.215 -179.452 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -61.18 -40.42 93.86 Favored 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 120.863 -0.335 . . . . 0.0 110.847 -179.36 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -61.4 -45.44 94.33 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 120.598 -0.441 . . . . 0.0 110.041 179.102 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 56.1 t -63.8 -41.17 91.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.508 179.15 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . 0.496 ' NE2' ' O ' ' A' ' 143' ' ' GLN . 1.2 tm0? -56.8 -43.29 80.79 Favored 'General case' 0 N--CA 1.455 -0.212 0 N-CA-C 109.177 -0.675 . . . . 0.0 109.177 -179.757 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 73.0 mtm -59.64 -40.78 88.76 Favored 'General case' 0 N--CA 1.455 -0.211 0 N-CA-C 108.807 -0.812 . . . . 0.0 108.807 179.13 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 66.2 mtt . . . . . 0 C--N 1.327 -0.41 0 CA-C-N 115.663 -0.699 . . . . 0.0 111.596 179.91 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.731 0.301 . . . . 0.0 110.741 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -66.83 132.56 93.96 Favored Pre-proline 0 CA--C 1.537 0.454 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.301 -179.813 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -70.88 -22.35 27.08 Favored 'Trans proline' 0 N--CA 1.492 1.434 0 C-N-CA 122.017 1.811 . . . . 0.0 112.384 -179.774 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -62.98 -38.1 89.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.989 -179.523 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 99.1 m -59.79 -45.16 93.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.527 -0.306 . . . . 0.0 110.466 -179.492 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -61.73 -40.04 93.67 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.728 -0.471 . . . . 0.0 109.728 179.434 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.57 -43.26 89.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.533 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -61.7 -40.76 96.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.47 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -61.79 -41.11 97.31 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.519 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 62.7 t -63.17 -44.76 99.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.292 -179.762 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -60.75 -44.89 96.13 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.484 -0.325 . . . . 0.0 111.272 -178.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 97.0 mt -64.4 -46.91 91.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 C-N-CA 120.594 -0.442 . . . . 0.0 110.267 179.774 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 47' ' ' GLN . . . . . 0.562 ' NE2' ' O ' ' A' ' 113' ' ' GLY . 33.9 mt-30 -64.96 -41.48 95.44 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.512 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 48.3 t -61.75 -46.42 89.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.998 0.427 . . . . 0.0 110.337 -179.836 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 72.1 tp60 -65.78 -39.24 90.79 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.482 179.813 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 50' ' ' PHE . . . . . 0.596 ' CD1' ' SD ' ' A' ' 124' ' ' MET . 38.5 t80 -59.0 -47.06 86.56 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.961 -179.623 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 51' ' ' ARG . . . . . 0.403 ' HA ' HE21 ' B' ' 54' ' ' GLN . 99.5 mtt180 -60.31 -41.09 92.76 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.619 -0.432 . . . . 0.0 110.077 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 64.7 mmtt -65.74 -39.43 91.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.763 179.369 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 53' ' ' PHE . . . . . . . . . . . . . 93.0 t80 -60.07 -49.79 76.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.435 -179.019 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 54' ' ' GLN . . . . . 0.403 HE21 ' HA ' ' B' ' 51' ' ' ARG . 23.0 pt20 -71.27 -26.62 62.96 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.693 -0.403 . . . . 0.0 110.671 179.87 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 88.0 tttt . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.153 179.599 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 87.3 p . . . . . 0 N--CA 1.462 0.169 0 CA-C-O 120.706 0.288 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -54.24 -35.9 62.97 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 120.423 -0.511 . . . . 0.0 109.711 -179.32 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 25.5 pt-20 -66.51 -32.9 74.54 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.894 179.454 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 53.5 tp10 -60.95 -47.61 85.62 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-O 121.072 0.463 . . . . 0.0 110.214 -179.102 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 4.4 mm -66.73 -35.06 73.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.122 178.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.574 ' CZ ' ' NH2' ' A' ' 90' ' ' ARG . 79.8 ttt180 -60.59 -38.91 86.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.108 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 70.9 mm-40 -58.58 -37.72 76.37 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.868 0.366 . . . . 0.0 110.022 -179.802 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -59.85 -35.2 74.26 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.278 179.036 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 72.7 m-85 -79.18 -38.15 36.55 Favored 'General case' 0 CA--C 1.531 0.216 0 C-N-CA 120.845 -0.342 . . . . 0.0 110.599 178.529 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.574 ' NH2' ' CZ ' ' A' ' 86' ' ' ARG . 95.2 mtt-85 -51.22 -28.43 11.44 Favored 'General case' 0 N--CA 1.463 0.21 0 C-N-CA 120.716 -0.394 . . . . 0.0 110.704 -178.573 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 55.6 t -60.83 -38.19 78.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 N-CA-C 109.798 -0.445 . . . . 0.0 109.798 178.229 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -85.28 -23.42 28.17 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.778 -0.647 . . . . 0.0 111.223 -179.694 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 58.9 t0 -89.89 71.76 7.56 Favored 'General case' 0 N--CA 1.463 0.203 0 C-N-CA 120.635 -0.426 . . . . 0.0 110.268 179.257 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 20.5 ptmt -70.5 -26.73 63.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.966 0.412 . . . . 0.0 110.961 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -71.14 -25.41 62.56 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.769 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 68.32 26.78 74.06 Favored Glycine 0 CA--C 1.527 0.803 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 58.5 t30 -91.66 -5.12 54.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.696 0.284 . . . . 0.0 110.868 -179.753 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . 0.403 ' O ' ' CE2' ' A' ' 138' ' ' TYR . . . 98.3 -7.78 62.19 Favored Glycine 0 CA--C 1.527 0.817 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 -179.715 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.51 ' CD1' ' N ' ' A' ' 99' ' ' TYR . 9.4 m-85 -120.73 160.89 22.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.049 0.452 . . . . 0.0 111.096 -178.858 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.427 HD13 HG21 ' A' ' 100' ' ' ILE . 0.1 OUTLIER -131.94 146.48 33.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 N-CA-C 108.131 -1.063 . . . . 0.0 108.131 178.492 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 41.1 t -59.68 133.03 55.72 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 119.643 -0.823 . . . . 0.0 109.712 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.519 ' HB2' HG23 ' A' ' 136' ' ' VAL . . . -65.35 -38.64 90.7 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.028 0.442 . . . . 0.0 111.214 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -59.19 -40.82 86.95 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.795 -0.639 . . . . 0.0 112.134 -177.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.716 ' O ' HG23 ' A' ' 108' ' ' VAL . 4.7 pt-20 -69.78 -30.72 68.35 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.388 -0.525 . . . . 0.0 110.634 -179.457 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 2.6 tt -61.41 -48.72 79.9 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.349 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 6.0 tmm_? -57.62 -48.31 79.79 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.541 -0.464 . . . . 0.0 110.014 -179.198 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . 0.484 ' O ' ' N ' ' A' ' 111' ' ' ASN . 85.7 t60 -61.28 -45.22 95.4 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.337 0.589 . . . . 0.0 110.308 179.617 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.716 HG23 ' O ' ' A' ' 104' ' ' GLU . 61.2 t -61.6 -38.43 80.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.167 -0.924 . . . . 0.0 111.038 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . 0.521 ' N ' ' SD ' ' A' ' 109' ' ' MET . 0.0 OUTLIER -76.93 -28.85 55.4 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.707 -0.679 . . . . 0.0 112.217 -179.705 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . 0.428 ' CG2' HG21 ' A' ' 121' ' ' VAL . 49.5 p -102.83 -15.92 16.08 Favored 'General case' 0 C--N 1.323 -0.557 0 C-N-CA 120.339 -0.544 . . . . 0.0 111.613 -178.286 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . 0.484 ' N ' ' O ' ' A' ' 107' ' ' HIS . 59.5 t30 -111.19 -50.39 2.94 Favored 'General case' 0 N--CA 1.468 0.427 0 N-CA-C 112.71 0.633 . . . . 0.0 112.71 -178.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 91.8 mt -90.23 167.23 12.85 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-O 120.74 0.305 . . . . 0.0 111.352 -179.198 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 58.61 -117.51 10.95 Favored Glycine 0 C--N 1.335 0.48 0 N-CA-C 111.482 -0.647 . . . . 0.0 111.482 178.677 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . 0.557 ' H ' ' CD ' ' B' ' 47' ' ' GLN . 6.0 mm-40 -96.9 168.49 10.46 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.26 -0.645 . . . . 0.0 109.26 178.499 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 27.0 mmtp -103.97 92.31 4.34 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.403 -179.207 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.569 ' N ' HD22 ' A' ' 116' ' ' LEU . 3.6 mm? -79.61 150.38 31.03 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 108.406 -0.961 . . . . 0.0 108.406 178.174 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . 0.479 ' OG1' ' OE1' ' A' ' 120' ' ' GLU . 19.6 p -94.96 178.65 5.49 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 120.361 -0.536 . . . . 0.0 109.564 179.402 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -60.28 -39.51 87.14 Favored 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 120.703 -0.399 . . . . 0.0 110.414 -179.791 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -62.21 -43.35 99.04 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.045 -179.812 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . 0.547 ' HB3' HD12 ' A' ' 116' ' ' LEU . 5.7 mp0 -71.59 -44.52 64.33 Favored 'General case' 0 N--CA 1.455 -0.206 0 C-N-CA 120.666 -0.414 . . . . 0.0 111.21 179.106 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.707 HG12 HD13 ' A' ' 125' ' ' ILE . 73.5 t -65.21 -41.86 92.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.332 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -51.95 -42.7 63.07 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.568 -0.453 . . . . 0.0 110.334 -178.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 -63.31 -33.47 75.58 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.077 179.202 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 93.6 mtp -74.46 -36.93 63.35 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.042 179.326 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . 0.707 HD13 HG12 ' A' ' 121' ' ' VAL . 1.1 mp -60.3 -42.58 91.16 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.165 0 CA-C-N 115.613 -0.721 . . . . 0.0 111.608 -179.028 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 12.4 ttt85 -60.26 -63.96 1.12 Allowed 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 120.179 -0.609 . . . . 0.0 110.309 -179.236 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . 0.442 ' CD ' ' SD ' ' A' ' 144' ' ' MET . 57.6 mt-10 -61.39 -8.39 3.97 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.879 -0.601 . . . . 0.0 111.68 -178.513 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 0.585 ' HB1' ' CG2' ' A' ' 136' ' ' VAL . . . -75.23 -71.53 0.36 Allowed 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.84 -0.344 . . . . 0.0 110.897 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . 0.478 ' CG ' ' N ' ' A' ' 130' ' ' ILE . 2.9 t70 160.97 -87.06 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.407 0 CA-C-O 121.343 0.592 . . . . 0.0 110.684 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 130' ' ' ILE . . . . . 0.478 ' N ' ' CG ' ' A' ' 129' ' ' ASP . 0.7 OUTLIER . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 114.859 -1.064 . . . . 0.0 111.192 -179.148 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 N-CA-C 112.486 -0.245 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . 0.414 ' O ' ' OD2' ' A' ' 129' ' ' ASP . 11.8 pt20 -128.84 148.45 50.89 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-O 121.046 0.451 . . . . 0.0 110.908 179.159 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . 0.585 ' CG2' ' HB1' ' A' ' 128' ' ' ALA . 49.2 t -129.53 134.43 63.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.411 -0.813 . . . . 0.0 112.081 -179.326 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . 0.433 ' OD1' ' OE1' ' A' ' 139' ' ' GLU . 60.5 t30 -93.38 112.05 23.87 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 108.716 -0.846 . . . . 0.0 108.716 178.659 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . 0.444 ' CE1' ' OE2' ' A' ' 139' ' ' GLU . 38.4 p90 -66.22 -10.16 39.15 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 112.782 0.66 . . . . 0.0 112.782 -178.07 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . 0.444 ' OE2' ' CE1' ' A' ' 138' ' ' TYR . 4.9 mp0 -59.26 -51.43 69.98 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.102 -0.639 . . . . 0.0 111.005 -179.87 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 76.0 mm-40 -61.66 -40.29 94.42 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 120.827 -0.349 . . . . 0.0 110.9 -179.182 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -59.97 -45.51 92.44 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.888 -0.412 . . . . 0.0 109.888 178.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 53.5 t -64.19 -43.74 97.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 C-N-CA 120.787 -0.365 . . . . 0.0 110.792 179.289 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -63.29 -42.58 99.08 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.569 -0.452 . . . . 0.0 109.872 179.634 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 144' ' ' MET . . . . . 0.442 ' SD ' ' CD ' ' A' ' 127' ' ' GLU . 3.2 ttp -70.37 -52.04 25.44 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.093 178.847 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 83.0 mtp . . . . . 0 C--N 1.321 -0.652 0 CA-C-N 116.144 -0.48 . . . . 0.0 112.279 -179.158 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 . . . . . 0 CA--C 1.527 0.095 0 CA-C-O 120.499 0.19 . . . . 0.0 111.431 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.32 120.75 54.38 Favored Pre-proline 0 CA--C 1.543 0.676 0 C-N-CA 120.719 -0.392 . . . . 0.0 110.819 -179.378 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_exo -53.21 -29.68 47.57 Favored 'Trans proline' 0 N--CA 1.5 1.892 0 C-N-CA 122.032 1.821 . . . . 0.0 112.283 178.637 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -60.31 -36.85 78.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.662 -179.486 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 97.9 m -59.54 -44.51 93.2 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.666 -179.62 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -61.87 -40.65 96.12 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.744 -0.382 . . . . 0.0 110.615 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 90.1 mmt-85 -63.76 -39.69 94.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.67 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -61.38 -40.77 95.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.914 0.388 . . . . 0.0 110.517 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -62.03 -39.69 93.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.887 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 56.9 t -61.32 -46.04 97.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.527 -179.274 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -60.88 -44.44 97.08 Favored 'General case' 0 C--N 1.331 -0.218 0 C-N-CA 120.582 -0.447 . . . . 0.0 110.656 -179.429 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 81.8 mt -63.55 -48.03 88.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.095 179.527 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 47' ' ' GLN . . . . . 0.557 ' CD ' ' H ' ' A' ' 114' ' ' GLU . 75.2 mt-30 -66.08 -41.19 91.04 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.879 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 75.7 m -63.34 -43.86 96.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.925 0.393 . . . . 0.0 110.181 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 72.4 tp60 -66.51 -39.15 88.51 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.359 179.554 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 50' ' ' PHE . . . . . 0.473 ' CZ ' ' NE2' ' B' ' 54' ' ' GLN . 56.1 t80 -59.22 -47.47 85.22 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.743 -179.803 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 44.3 ttm180 -59.63 -42.13 92.03 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.635 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 62.8 mttp -61.36 -40.35 93.95 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.28 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 53' ' ' PHE . . . . . . . . . . . . . 65.9 t80 -61.13 -45.12 95.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.118 179.465 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 54' ' ' GLN . . . . . 0.473 ' NE2' ' CZ ' ' B' ' 50' ' ' PHE . 92.2 mt-30 -61.14 -40.34 93.45 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.89 -179.193 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 64.6 tttm . . . . . 0 C--N 1.328 -0.344 0 CA-C-O 120.814 0.34 . . . . 0.0 110.296 -179.876 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 66.0 m . . . . . 0 CA--C 1.522 -0.115 0 CA-C-O 121.009 0.433 . . . . 0.0 110.243 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -55.5 -39.15 70.1 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 -179.615 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.421 ' CD ' ' N ' ' A' ' 84' ' ' GLU . 3.2 pp20? -64.16 -34.69 78.65 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.614 179.301 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.421 ' N ' ' CD ' ' A' ' 83' ' ' GLU . 88.5 tt0 -62.99 -45.66 91.36 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-O 121.027 0.441 . . . . 0.0 110.454 -179.792 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 4.2 mm -65.22 -39.23 84.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.642 178.729 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 80.3 ttt180 -59.35 -38.28 79.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.201 -0.909 . . . . 0.0 111.017 179.854 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -56.24 -40.0 73.43 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.122 -0.49 . . . . 0.0 109.866 -179.395 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.71 -35.56 76.62 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.765 179.228 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 64.4 m-85 -73.83 -41.01 62.91 Favored 'General case' 0 C--N 1.332 -0.194 0 C-N-CA 120.469 -0.493 . . . . 0.0 110.324 178.419 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -49.07 -26.83 2.88 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.102 -178.156 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 55.3 t -61.18 -39.66 83.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 C-N-CA 120.674 -0.41 . . . . 0.0 110.629 179.021 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 27.8 m-85 -81.98 -23.44 36.05 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.848 -0.341 . . . . 0.0 110.814 -179.801 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.434 ' OD1' ' OD1' ' A' ' 95' ' ' ASP . 62.6 t0 -90.68 78.59 6.18 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.238 179.446 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 16.0 ptpt -75.03 -25.38 58.69 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.751 0.31 . . . . 0.0 111.784 -179.796 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . 0.434 ' OD1' ' OD1' ' A' ' 93' ' ' ASP . 12.3 p-10 -75.69 -23.97 56.22 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.669 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 67.7 29.16 73.61 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.858 -0.897 . . . . 0.0 110.858 179.797 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . 0.428 ' O ' ' OD1' ' A' ' 97' ' ' ASN . 26.8 t-20 -95.8 -1.82 48.88 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 120.921 -0.312 . . . . 0.0 110.671 -179.855 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . 0.427 ' C ' ' CD1' ' A' ' 99' ' ' TYR . . . 93.9 13.8 53.88 Favored Glycine 0 CA--C 1.53 0.979 0 C-N-CA 120.799 -0.715 . . . . 0.0 111.432 -179.795 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.433 ' CD1' ' N ' ' A' ' 99' ' ' TYR . 24.1 m-85 -138.36 157.0 47.09 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-O 121.228 0.537 . . . . 0.0 112.145 -179.641 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -131.25 144.59 37.23 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.084 0 N-CA-C 107.926 -1.138 . . . . 0.0 107.926 177.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 40.5 t -60.53 132.05 52.68 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.032 -0.667 . . . . 0.0 110.625 -179.468 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.681 ' HB2' HG23 ' A' ' 136' ' ' VAL . . . -64.7 -38.83 92.33 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.923 179.653 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -60.04 -40.72 90.36 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.852 -0.613 . . . . 0.0 112.028 -178.323 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.581 ' O ' HG23 ' A' ' 108' ' ' VAL . 3.8 pt-20 -70.28 -30.05 66.97 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.511 -0.476 . . . . 0.0 110.488 -179.3 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 4.8 tt -60.97 -48.44 81.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.048 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . 0.426 ' CD ' ' C ' ' A' ' 106' ' ' ARG . 0.0 OUTLIER -56.92 -49.47 75.51 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.22 -179.71 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . 0.51 ' CE1' ' ND2' ' A' ' 111' ' ' ASN . 79.2 t60 -61.79 -46.91 87.5 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.283 0.563 . . . . 0.0 110.812 179.126 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.581 HG23 ' O ' ' A' ' 104' ' ' GLU . 61.2 t -62.51 -39.57 84.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 115.497 -0.774 . . . . 0.0 111.673 -179.584 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . 0.462 ' N ' ' SD ' ' A' ' 109' ' ' MET . 0.0 OUTLIER -70.16 -32.11 69.93 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.799 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . 0.658 ' CG2' HG21 ' A' ' 121' ' ' VAL . 64.3 p -103.92 -14.03 16.14 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 112.235 0.457 . . . . 0.0 112.235 -178.166 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . 0.51 ' ND2' ' CE1' ' A' ' 107' ' ' HIS . 63.9 t30 -105.89 -28.63 10.49 Favored 'General case' 0 N--CA 1.463 0.216 0 N-CA-C 112.068 0.396 . . . . 0.0 112.068 -179.419 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 83.2 mt -118.59 -179.13 3.7 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 121.628 0.728 . . . . 0.0 111.84 -179.191 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 62.71 -122.91 29.23 Favored Glycine 0 CA--C 1.526 0.733 0 CA-C-N 114.612 -1.176 . . . . 0.0 112.145 179.108 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . 0.421 ' O ' ' O ' ' A' ' 115' ' ' LYS . 99.3 mt-10 -99.76 13.82 32.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.921 0.391 . . . . 0.0 111.054 -179.353 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.421 ' O ' ' O ' ' A' ' 114' ' ' GLU . 90.0 mttt 49.58 101.98 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.642 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.79 HD23 HE21 ' B' ' 47' ' ' GLN . 4.2 mm? -91.7 156.45 17.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.239 -179.819 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . 0.524 ' O ' HG23 ' A' ' 121' ' ' VAL . 64.3 p -91.74 170.58 9.79 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.998 -0.371 . . . . 0.0 109.998 179.171 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . 0.531 ' OD1' ' N ' ' A' ' 119' ' ' GLU . 41.3 p-10 -58.44 -40.84 83.67 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.754 -0.378 . . . . 0.0 110.86 -179.793 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . 0.531 ' N ' ' OD1' ' A' ' 118' ' ' ASP . 88.6 tt0 -61.82 -42.7 99.35 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.664 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . 0.669 ' HB3' HD12 ' A' ' 116' ' ' LEU . 78.3 mm-40 -69.52 -40.01 77.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.093 0.473 . . . . 0.0 110.025 178.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.658 HG21 ' CG2' ' A' ' 110' ' ' THR . 76.9 t -66.73 -44.24 89.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.161 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -56.82 -46.57 81.57 Favored 'General case' 0 C--N 1.331 -0.205 0 C-N-CA 120.943 -0.303 . . . . 0.0 111.017 -178.085 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 53.6 tp10 -62.39 -37.2 84.85 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 179.076 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . 0.599 ' SD ' ' CE1' ' B' ' 50' ' ' PHE . 37.0 mmm -70.78 -37.7 73.34 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.21 -0.905 . . . . 0.0 110.324 178.322 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . 0.505 HG13 HD11 ' A' ' 130' ' ' ILE . 0.1 OUTLIER -61.19 -37.34 77.27 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.156 0 CA-C-N 115.578 -0.737 . . . . 0.0 111.489 -177.532 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 24.6 mmm-85 -61.42 -63.16 1.37 Allowed 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 119.927 -0.709 . . . . 0.0 109.52 -179.62 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -59.68 -6.94 1.32 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.452 -178.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 0.519 ' HB1' HG21 ' A' ' 136' ' ' VAL . . . -76.82 -73.82 0.27 Allowed 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.681 -0.408 . . . . 0.0 110.222 179.294 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . 0.487 ' CG ' ' N ' ' A' ' 130' ' ' ILE . 10.0 t70 163.46 -93.08 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.709 0 CA-C-O 121.57 0.7 . . . . 0.0 111.102 179.075 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 130' ' ' ILE . . . . . 0.585 ' O ' HG22 ' A' ' 130' ' ' ILE . 64.6 mt . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 114.721 -1.127 . . . . 0.0 110.649 -178.67 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 CA-C-O 120.063 -0.298 . . . . 0.0 112.837 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . 0.434 ' O ' ' OD2' ' A' ' 129' ' ' ASP . 0.6 OUTLIER -123.54 145.23 49.03 Favored 'General case' 0 N--CA 1.466 0.342 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 177.797 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . 0.681 HG23 ' HB2' ' A' ' 102' ' ' ALA . 40.4 t -124.86 134.32 67.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.835 -0.621 . . . . 0.0 112.542 -178.602 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . 0.453 ' OD1' ' O ' ' A' ' 137' ' ' ASN . 9.1 p30 -93.3 113.16 25.28 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 115.536 -0.756 . . . . 0.0 109.062 178.272 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 37.9 p90 -63.16 -6.79 4.64 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.486 -0.485 . . . . 0.0 111.962 -178.48 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . 0.444 ' HG2' HE21 ' A' ' 143' ' ' GLN . 88.6 tt0 -60.37 -51.05 71.17 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 119.952 -0.699 . . . . 0.0 110.7 -179.489 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 52.5 tp10 -60.37 -41.01 92.82 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-O 120.837 0.351 . . . . 0.0 110.729 -179.135 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . 0.517 ' O ' ' SD ' ' A' ' 145' ' ' MET . 3.9 m-85 -61.42 -41.05 96.56 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 120.409 -0.516 . . . . 0.0 109.799 179.187 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 52.5 t -64.07 -40.49 89.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 C-N-CA 120.533 -0.467 . . . . 0.0 110.584 178.793 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . 0.444 HE21 ' HG2' ' A' ' 139' ' ' GLU . 75.7 mt-30 -61.2 -40.4 93.8 Favored 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 178.877 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 72.7 mtp -60.46 -44.7 95.6 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 179.372 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . 0.517 ' SD ' ' O ' ' A' ' 141' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--N 1.331 -0.234 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.187 179.808 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 67.1 t0 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.546 0.213 . . . . 0.0 110.854 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -59.92 124.98 79.39 Favored Pre-proline 0 CA--C 1.541 0.627 0 C-N-CA 120.727 -0.389 . . . . 0.0 110.337 -179.709 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 76.2 Cg_exo -51.79 -27.21 26.19 Favored 'Trans proline' 0 N--CA 1.498 1.789 0 C-N-CA 121.783 1.655 . . . . 0.0 112.459 179.105 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 52.7 tp10 -59.32 -43.32 92.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.793 -178.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 93.9 m -61.81 -48.24 81.5 Favored 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 120.579 -0.448 . . . . 0.0 110.975 -179.437 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -64.45 -40.73 96.28 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.622 -0.51 . . . . 0.0 109.622 179.346 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 41' ' ' ARG . . . . . 0.504 HH12 ' HB2' ' B' ' 45' ' ' ALA . 51.6 tpt85 -61.6 -46.08 91.37 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.335 -0.848 . . . . 0.0 110.561 179.361 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -61.49 -40.29 94.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.238 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -61.55 -39.35 90.78 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.598 179.789 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 44' ' ' VAL . . . . . 0.408 ' O ' ' CB ' ' B' ' 48' ' ' SER . 52.9 t -60.43 -46.04 95.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.177 -179.34 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 45' ' ' ALA . . . . . 0.504 ' HB2' HH12 ' B' ' 41' ' ' ARG . . . -61.47 -46.54 89.63 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.52 -0.472 . . . . 0.0 111.175 -179.522 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 94.9 mt -66.71 -48.08 81.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.84 0.353 . . . . 0.0 111.329 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 47' ' ' GLN . . . . . 0.79 HE21 HD23 ' A' ' 116' ' ' LEU . 14.9 mm100 -69.02 -40.47 78.65 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.937 -179.061 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 48' ' ' SER . . . . . 0.408 ' CB ' ' O ' ' B' ' 44' ' ' VAL . 47.7 t -62.95 -43.86 97.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.105 0.479 . . . . 0.0 110.185 179.449 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 10.0 tp-100 -63.51 -36.53 84.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.331 -179.869 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 50' ' ' PHE . . . . . 0.599 ' CE1' ' SD ' ' A' ' 124' ' ' MET . 43.2 t80 -57.62 -45.84 84.86 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.718 -179.823 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 45.0 ttm180 -57.58 -45.87 84.69 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 120.597 -0.441 . . . . 0.0 110.002 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 20.3 ttmm -62.2 -41.33 98.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.966 0.412 . . . . 0.0 110.146 179.175 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 53' ' ' PHE . . . . . . . . . . . . . 92.8 t80 -58.61 -46.81 86.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.414 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 98.3 mm-40 -61.42 -39.27 90.17 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.545 -179.834 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 38.8 ttpt . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.606 -179.871 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 68.6 m . . . . . 0 N--CA 1.463 0.18 0 CA-C-O 120.875 0.369 . . . . 0.0 110.465 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -56.15 -36.14 67.95 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 -179.03 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 22.8 pt-20 -66.83 -28.48 68.39 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.97 179.286 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -62.41 -46.43 88.6 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-O 120.925 0.393 . . . . 0.0 110.761 -179.079 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 1.8 mt -72.93 -28.72 27.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 121.141 0.496 . . . . 0.0 110.168 179.534 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 41.0 ttm180 -60.34 -39.41 87.03 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.905 -0.589 . . . . 0.0 109.883 179.145 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -58.89 -43.72 91.01 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 179.66 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.48 -37.9 82.53 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.957 179.779 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 37.7 m-85 -76.5 -43.28 40.24 Favored 'General case' 0 C--N 1.332 -0.175 0 C-N-CA 120.644 -0.423 . . . . 0.0 110.352 178.357 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 95.2 mtt180 -48.77 -24.42 1.41 Allowed 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.447 -178.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 53.2 t -61.77 -40.74 87.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 N-CA-C 109.938 -0.393 . . . . 0.0 109.938 178.612 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 20.2 m-85 -86.12 -25.6 25.69 Favored 'General case' 0 CA--C 1.53 0.206 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.213 -179.604 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 63.7 t0 -88.35 76.38 8.34 Favored 'General case' 0 C--N 1.332 -0.176 0 C-N-CA 120.52 -0.472 . . . . 0.0 109.822 179.248 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 3.9 ptmm? -71.05 -21.14 62.29 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.751 -179.683 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -82.74 -25.83 32.49 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.795 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 68.02 32.73 77.48 Favored Glycine 0 CA--C 1.526 0.732 0 N-CA-C 110.473 -1.051 . . . . 0.0 110.473 -179.786 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 58.5 t30 -96.26 -1.06 48.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.704 0.288 . . . . 0.0 110.775 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 94.26 6.11 61.67 Favored Glycine 0 CA--C 1.529 0.928 0 N-CA-C 111.56 -0.616 . . . . 0.0 111.56 179.845 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.459 ' N ' ' CD1' ' A' ' 99' ' ' TYR . 18.2 m-85 -134.77 158.99 42.73 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-O 121.204 0.526 . . . . 0.0 111.654 -179.597 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -132.44 149.67 32.51 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.155 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 178.279 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 67.0 m -60.3 131.84 52.05 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 119.685 -0.806 . . . . 0.0 109.964 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.578 ' HB2' HG23 ' A' ' 136' ' ' VAL . . . -66.81 -38.06 85.74 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.904 0.383 . . . . 0.0 111.059 179.697 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -60.63 -42.38 96.77 Favored 'General case' 0 N--CA 1.465 0.292 0 N-CA-C 112.737 0.643 . . . . 0.0 112.737 -178.109 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.723 ' O ' HG23 ' A' ' 108' ' ' VAL . 7.8 pt-20 -69.28 -27.15 65.16 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.318 -0.553 . . . . 0.0 110.445 -179.055 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 45.7 tp -61.5 -45.7 93.13 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 108.915 -0.772 . . . . 0.0 108.915 179.693 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 9.3 tpp180 -56.98 -50.16 73.55 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.224 -179.007 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . 0.427 ' O ' ' N ' ' A' ' 111' ' ' ASN . 80.6 t60 -62.61 -44.46 96.24 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.41 0.624 . . . . 0.0 110.358 179.61 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.723 HG23 ' O ' ' A' ' 104' ' ' GLU . 74.4 t -61.77 -37.33 77.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 114.98 -1.009 . . . . 0.0 112.094 -178.782 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -82.64 -22.6 34.63 Favored 'General case' 0 N--CA 1.466 0.326 0 C-N-CA 120.595 -0.442 . . . . 0.0 111.8 -178.879 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . 0.505 HG22 HG21 ' A' ' 121' ' ' VAL . 46.4 p -103.46 -16.63 15.52 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 120.464 -0.494 . . . . 0.0 111.347 -179.089 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . 0.427 ' N ' ' O ' ' A' ' 107' ' ' HIS . 17.0 t-20 -109.93 -48.7 3.17 Favored 'General case' 0 N--CA 1.464 0.272 0 C-N-CA 120.99 -0.284 . . . . 0.0 111.761 -179.534 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 91.0 mt -95.05 174.55 7.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.312 0.577 . . . . 0.0 111.79 -179.086 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 70.23 -123.09 11.82 Favored Glycine 0 CA--C 1.527 0.799 0 CA-C-N 115.005 -0.998 . . . . 0.0 112.927 178.679 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . 0.446 ' O ' ' O ' ' A' ' 115' ' ' LYS . 99.4 mt-10 -105.08 13.43 30.82 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.878 0.37 . . . . 0.0 111.466 -179.016 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.446 ' O ' ' O ' ' A' ' 114' ' ' GLU . 52.9 mttp 50.05 103.91 0.01 OUTLIER 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.791 179.813 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.529 HD12 ' HB3' ' A' ' 120' ' ' GLU . 4.5 mm? -91.25 158.44 16.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.788 -0.642 . . . . 0.0 109.735 179.21 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 72.6 p -92.35 170.07 10.07 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.194 -0.669 . . . . 0.0 109.194 178.572 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -59.12 -40.71 86.27 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 120.481 -0.487 . . . . 0.0 110.642 -179.308 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -63.11 -43.05 99.54 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.625 -0.43 . . . . 0.0 111.011 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . 0.529 ' HB3' HD12 ' A' ' 116' ' ' LEU . 52.1 mt-10 -69.4 -44.07 72.17 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.88 0.371 . . . . 0.0 111.129 179.701 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.557 HG12 HD13 ' A' ' 125' ' ' ILE . 65.2 t -65.63 -42.89 93.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.753 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -54.66 -39.01 67.61 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.283 -0.567 . . . . 0.0 109.604 -178.805 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -63.33 -37.41 87.14 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.214 0.531 . . . . 0.0 109.725 178.326 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 96.4 mtp -70.49 -38.43 74.37 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.655 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . 0.557 HD13 HG12 ' A' ' 121' ' ' VAL . 1.2 mp -59.2 -39.2 78.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.533 -179.646 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 83.9 mtp180 -67.87 -26.21 65.9 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.345 179.814 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -95.82 -3.41 45.64 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.641 179.43 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 0.502 ' HB1' HG21 ' A' ' 136' ' ' VAL . . . -87.97 -78.12 0.33 Allowed 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.745 -178.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . 0.471 ' CG ' ' N ' ' A' ' 130' ' ' ILE . 14.6 t0 164.45 -96.29 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.817 0 CA-C-O 121.384 0.612 . . . . 0.0 110.679 179.858 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 130' ' ' ILE . . . . . 0.471 ' N ' ' CG ' ' A' ' 129' ' ' ASP . 1.0 OUTLIER . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 114.985 -1.007 . . . . 0.0 110.725 -179.142 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.131 0 CA-C-O 119.719 -0.49 . . . . 0.0 112.994 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . 0.418 ' OE1' ' O ' ' A' ' 135' ' ' GLN . 0.0 OUTLIER -123.95 148.59 46.78 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-N 117.531 0.666 . . . . 0.0 110.881 179.345 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . 0.578 HG23 ' HB2' ' A' ' 102' ' ' ALA . 8.2 t -133.38 135.3 56.35 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.171 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.94 -179.381 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -90.5 110.26 21.38 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.659 -0.7 . . . . 0.0 109.852 178.81 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 38.0 p90 -65.86 -13.56 59.81 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 120.816 -0.354 . . . . 0.0 111.852 -179.003 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 60.5 mp0 -58.91 -48.16 82.45 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 120.08 -0.648 . . . . 0.0 110.821 -178.46 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -62.11 -43.1 99.56 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.65 -0.42 . . . . 0.0 111.005 -179.695 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -58.77 -48.02 82.67 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.179 -0.464 . . . . 0.0 109.969 179.4 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 55.1 t -64.12 -42.58 96.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.841 179.784 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 80.2 mm-40 -61.67 -41.05 97.02 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 108.546 -0.909 . . . . 0.0 108.546 178.504 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 2.3 ttt -66.73 -49.23 66.68 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.195 -0.911 . . . . 0.0 110.431 178.711 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 64.1 mtt . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.868 179.794 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 56.1 p30 . . . . . 0 N--CA 1.457 -0.095 0 CA-C-O 121.065 0.46 . . . . 0.0 109.963 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -102.46 110.05 62.01 Favored Pre-proline 0 CA--C 1.537 0.448 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.224 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 75.4 Cg_exo -50.6 -29.65 25.79 Favored 'Trans proline' 0 N--CA 1.495 1.58 0 C-N-CA 121.824 1.682 . . . . 0.0 111.926 179.475 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -60.41 -41.89 94.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.528 -179.811 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 97.1 m -61.15 -45.79 93.19 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.829 0.347 . . . . 0.0 110.396 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -62.0 -44.05 97.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.399 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 23.6 mmt85 -63.54 -40.14 96.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.352 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -61.91 -39.98 93.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.168 179.531 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -61.41 -39.89 92.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.652 179.832 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 54.6 t -61.66 -46.32 96.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.726 -179.308 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 45' ' ' ALA . . . . . 0.531 ' O ' ' NE2' ' B' ' 49' ' ' GLN . . . -61.31 -43.9 98.1 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.646 -0.421 . . . . 0.0 110.85 -179.272 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 97.4 mt -62.65 -47.43 92.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-O 121.052 0.454 . . . . 0.0 109.813 179.839 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 47' ' ' GLN . . . . . 0.447 ' OE1' ' CD2' ' A' ' 116' ' ' LEU . 76.6 mt-30 -66.57 -39.58 88.56 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.356 179.366 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 48.2 t -60.87 -45.75 93.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.825 0.345 . . . . 0.0 110.622 -179.57 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . 0.531 ' NE2' ' O ' ' B' ' 45' ' ' ALA . 2.5 mp0 -65.24 -35.91 82.5 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.898 179.692 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 50' ' ' PHE . . . . . 0.612 ' CE2' ' NE2' ' B' ' 54' ' ' GLN . 38.8 t80 -59.03 -48.5 81.35 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.666 -0.414 . . . . 0.0 110.601 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -62.56 -40.03 95.55 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.883 -0.327 . . . . 0.0 110.57 179.722 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 64.7 tttm -61.87 -41.26 97.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.376 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 53' ' ' PHE . . . . . . . . . . . . . 61.3 t80 -59.5 -43.01 93.44 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.373 -179.649 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 54' ' ' GLN . . . . . 0.612 ' NE2' ' CE2' ' B' ' 50' ' ' PHE . 58.0 mt-30 -61.12 -40.05 92.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.726 -179.552 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 14.4 tmtt? . . . . . 0 C--N 1.33 -0.247 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.712 -179.731 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 67.8 m . . . . . 0 CA--C 1.522 -0.097 0 CA-C-O 120.682 0.277 . . . . 0.0 111.043 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -54.27 -31.17 53.06 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.268 0.556 . . . . 0.0 109.873 -179.748 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -70.37 -34.93 73.17 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.306 -0.861 . . . . 0.0 110.323 179.396 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -62.47 -47.16 85.2 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.771 -179.665 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 4.7 mm -66.62 -38.14 80.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.027 -0.533 . . . . 0.0 109.578 179.037 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.627 ' CZ ' HH21 ' A' ' 90' ' ' ARG . 75.4 ttt180 -59.71 -38.14 80.8 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.21 -0.905 . . . . 0.0 110.957 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -57.5 -40.82 79.5 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 -179.703 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -59.76 -35.79 75.33 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.676 179.571 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 60.8 m-85 -77.16 -40.42 45.53 Favored 'General case' 0 C--N 1.331 -0.196 0 C-N-CA 120.678 -0.409 . . . . 0.0 110.442 178.223 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.627 HH21 ' CZ ' ' A' ' 86' ' ' ARG . 94.1 mtt-85 -51.2 -25.11 4.95 Favored 'General case' 0 CA--C 1.52 -0.2 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.823 -178.773 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 53.8 t -61.89 -39.38 83.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.157 178.72 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 22.2 m-85 -85.0 -21.12 29.61 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.035 -179.677 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 65.2 t0 -91.24 84.73 5.68 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 178.72 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.417 ' HD2' ' H ' ' A' ' 94' ' ' LYS . 0.0 OUTLIER -86.44 -20.92 27.44 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.753 -0.379 . . . . 0.0 110.907 -179.307 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -74.67 -27.31 60.36 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.643 -0.503 . . . . 0.0 109.643 178.629 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 71.37 26.72 72.84 Favored Glycine 0 CA--C 1.526 0.749 0 N-CA-C 110.701 -0.96 . . . . 0.0 110.701 -179.699 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 56.2 p30 -94.14 -0.87 55.01 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 121.057 -0.257 . . . . 0.0 111.369 -179.823 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . 0.416 ' C ' ' CD1' ' A' ' 99' ' ' TYR . . . 92.93 10.78 59.59 Favored Glycine 0 CA--C 1.531 1.051 0 C-N-CA 120.947 -0.644 . . . . 0.0 111.56 179.829 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.462 ' CD1' ' N ' ' A' ' 99' ' ' TYR . 16.9 m-85 -136.87 158.54 44.22 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-O 121.208 0.527 . . . . 0.0 112.207 -179.787 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.429 HG21 HD13 ' A' ' 100' ' ' ILE . 0.2 OUTLIER -130.63 145.56 35.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 N-CA-C 107.593 -1.262 . . . . 0.0 107.593 177.842 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 67.2 m -59.98 130.34 46.24 Favored 'General case' 0 C--N 1.323 -0.553 0 C-N-CA 119.815 -0.754 . . . . 0.0 110.179 -179.571 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.656 ' HB2' HG23 ' A' ' 136' ' ' VAL . . . -64.15 -39.35 93.83 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.077 0.465 . . . . 0.0 111.075 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -60.82 -42.02 96.86 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 113.018 0.747 . . . . 0.0 113.018 -177.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.629 ' O ' HG23 ' A' ' 108' ' ' VAL . 7.8 pt-20 -69.85 -28.39 65.63 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 120.358 -0.537 . . . . 0.0 110.601 -178.849 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 3.4 tt -60.82 -47.8 84.69 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.848 -0.427 . . . . 0.0 109.848 179.596 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 8.7 tmm_? -56.59 -49.8 73.83 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.632 -0.427 . . . . 0.0 110.078 -179.481 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . 0.496 ' O ' ' N ' ' A' ' 111' ' ' ASN . 83.8 t60 -61.15 -46.35 90.88 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-O 121.332 0.587 . . . . 0.0 110.437 179.517 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.629 HG23 ' O ' ' A' ' 104' ' ' GLU . 63.2 t -61.32 -39.42 82.62 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 115.113 -0.949 . . . . 0.0 110.879 -179.808 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.8 -29.25 63.12 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.953 -179.521 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . 0.54 ' CG2' HG21 ' A' ' 121' ' ' VAL . 69.8 p -104.01 -14.0 16.11 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 120.67 -0.412 . . . . 0.0 111.894 -178.44 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . 0.496 ' N ' ' O ' ' A' ' 107' ' ' HIS . 61.3 t30 -107.12 -48.96 3.37 Favored 'General case' 0 N--CA 1.466 0.365 0 N-CA-C 112.39 0.515 . . . . 0.0 112.39 -179.094 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 86.5 mt -93.17 167.35 11.82 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-O 121.086 0.47 . . . . 0.0 111.987 -178.573 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 61.02 -115.01 7.25 Favored Glycine 0 CA--C 1.521 0.445 0 CA-C-N 115.705 -0.68 . . . . 0.0 111.997 178.432 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . 0.561 ' O ' HD22 ' A' ' 116' ' ' LEU . 99.2 mt-10 -115.9 96.26 5.5 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 179.197 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.402 ' H ' ' HG3' ' A' ' 115' ' ' LYS . 5.2 mtpm? -37.29 116.18 0.45 Allowed 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.718 -178.24 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.666 HD12 ' HB3' ' A' ' 120' ' ' GLU . 3.9 mm? -86.51 156.17 20.2 Favored 'General case' 0 C--N 1.332 -0.153 0 N-CA-C 107.925 -1.139 . . . . 0.0 107.925 177.788 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 67.0 p -89.01 165.58 14.46 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.205 -0.598 . . . . 0.0 109.782 178.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . 0.449 ' N ' ' OD1' ' A' ' 118' ' ' ASP . 11.1 p-10 -58.24 -40.14 80.97 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 120.569 -0.453 . . . . 0.0 110.3 -179.875 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . 0.434 ' OE1' ' OD1' ' A' ' 118' ' ' ASP . 60.9 mp0 -62.7 -41.76 99.3 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.167 179.841 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . 0.666 ' HB3' HD12 ' A' ' 116' ' ' LEU . 51.0 mt-10 -69.96 -43.22 72.0 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.861 179.315 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.602 HG12 HD13 ' A' ' 125' ' ' ILE . 55.7 t -63.21 -43.01 98.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 116.238 -0.437 . . . . 0.0 109.987 179.38 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -55.38 -39.43 70.12 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 120.182 -0.607 . . . . 0.0 109.744 -178.839 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 78.6 mm-40 -63.01 -38.08 89.77 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 178.304 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 96.0 mtp -70.41 -39.65 74.35 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.883 -179.707 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . 0.602 HD13 HG12 ' A' ' 121' ' ' VAL . 1.1 mp -57.96 -39.48 72.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.469 -179.409 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 34.5 mmt180 -68.0 -27.3 66.44 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.488 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -95.69 -8.07 35.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.004 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 0.672 ' HB1' HG21 ' A' ' 136' ' ' VAL . . . -82.34 -73.58 0.39 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.239 -179.166 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . 0.486 ' CG ' ' N ' ' A' ' 130' ' ' ILE . 13.6 t0 159.67 -96.33 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.799 0 O-C-N 123.703 0.627 . . . . 0.0 110.267 179.815 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 130' ' ' ILE . . . . . 0.486 ' N ' ' CG ' ' A' ' 129' ' ' ASP . 0.8 OUTLIER . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 115.038 -0.983 . . . . 0.0 110.844 -179.284 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.728 0 N-CA-C 111.889 -0.484 . . . . 0.0 111.889 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 20.0 pt20 -125.46 144.8 50.37 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-O 121.18 0.514 . . . . 0.0 111.096 179.575 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . 0.672 HG21 ' HB1' ' A' ' 128' ' ' ALA . 27.1 t -128.83 134.01 65.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.395 -0.82 . . . . 0.0 111.833 -179.456 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . 0.457 ' OD1' ' O ' ' A' ' 137' ' ' ASN . 9.9 p30 -91.9 113.44 25.71 Favored 'General case' 0 N--CA 1.452 -0.37 0 N-CA-C 109.23 -0.656 . . . . 0.0 109.23 178.439 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 40.2 p90 -62.98 -8.63 7.62 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 112.394 0.516 . . . . 0.0 112.394 -178.305 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . 0.404 ' HG2' HE21 ' A' ' 143' ' ' GLN . 88.6 tt0 -59.67 -50.14 75.03 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 119.956 -0.698 . . . . 0.0 110.737 -179.329 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -60.82 -39.34 88.61 Favored 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 120.985 -0.286 . . . . 0.0 111.44 -178.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -60.79 -43.77 97.69 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 178.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 55.1 t -65.09 -46.08 92.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.219 179.108 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . 0.404 HE21 ' HG2' ' A' ' 139' ' ' GLU . 76.5 mt-30 -63.03 -41.02 99.42 Favored 'General case' 0 CA--C 1.519 -0.243 0 N-CA-C 108.968 -0.752 . . . . 0.0 108.968 178.845 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 2.2 ttp -60.66 -47.76 84.79 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.294 -0.866 . . . . 0.0 109.234 178.15 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 9.2 mtm . . . . . 0 C--N 1.326 -0.416 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.777 179.961 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 37.2 t70 . . . . . 0 N--CA 1.464 0.233 0 N-CA-C 112.163 0.431 . . . . 0.0 112.163 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.16 135.18 90.76 Favored Pre-proline 0 CA--C 1.538 0.487 0 C-N-CA 120.659 -0.416 . . . . 0.0 110.802 -178.736 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -70.71 -22.81 27.24 Favored 'Trans proline' 0 N--CA 1.492 1.417 0 C-N-CA 122.187 1.925 . . . . 0.0 112.451 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 75.4 mm-40 -62.57 -39.91 95.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.627 -179.732 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 99.8 m -61.41 -48.91 79.05 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.829 -179.712 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -65.22 -40.97 94.82 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.359 0.6 . . . . 0.0 109.401 179.177 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 24.7 tpt180 -60.59 -45.42 94.05 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.125 -0.943 . . . . 0.0 110.193 179.818 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -61.45 -39.05 89.45 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.85 -0.613 . . . . 0.0 110.344 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -60.6 -38.93 86.31 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.55 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 55.3 t -60.5 -46.35 95.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.272 -179.483 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -61.17 -46.66 89.59 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 120.502 -0.479 . . . . 0.0 110.856 -179.487 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 88.8 mt -64.54 -47.33 89.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-O 120.879 0.371 . . . . 0.0 111.071 179.581 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 47' ' ' GLN . . . . . 0.464 ' OE1' ' N ' ' A' ' 114' ' ' GLU . 76.3 mt-30 -65.85 -40.9 92.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.337 -179.707 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 48.0 t -62.45 -45.12 94.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.034 0.445 . . . . 0.0 110.562 179.832 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 94.7 mm-40 -64.3 -38.12 89.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.183 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 50' ' ' PHE . . . . . 0.626 ' CE2' ' NE2' ' B' ' 54' ' ' GLN . 53.5 t80 -58.07 -47.3 83.59 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.717 -0.393 . . . . 0.0 110.31 -179.87 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 63.4 ttm-85 -60.3 -41.24 92.99 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.227 179.522 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 65.0 tttp -60.16 -39.36 86.16 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.274 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 53' ' ' PHE . . . . . . . . . . . . . 47.8 t80 -58.56 -42.82 88.8 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.122 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 54' ' ' GLN . . . . . 0.626 ' NE2' ' CE2' ' B' ' 50' ' ' PHE . 76.3 mt-30 -62.47 -40.21 95.91 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.27 -179.717 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 21.7 mtmt . . . . . 0 C--N 1.331 -0.217 0 C-N-CA 120.894 -0.322 . . . . 0.0 110.952 -179.789 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 89.6 p . . . . . 0 CA--C 1.522 -0.129 0 CA-C-O 120.92 0.39 . . . . 0.0 110.37 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -54.67 -36.61 64.79 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 -179.426 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 3.0 pp20? -67.46 -31.74 72.11 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.766 179.279 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 15.6 tm-20 -63.14 -47.1 84.18 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-O 121.138 0.494 . . . . 0.0 110.106 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 4.5 mm -67.43 -35.23 72.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.623 -0.717 . . . . 0.0 109.579 178.798 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.572 ' CZ ' ' NH2' ' A' ' 90' ' ' ARG . 56.9 ttp180 -58.06 -38.72 76.85 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.334 -0.848 . . . . 0.0 110.25 -179.875 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -58.82 -41.86 87.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.111 -0.495 . . . . 0.0 109.846 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.42 -38.21 86.29 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.515 179.169 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 35.0 m-85 -72.27 -42.74 65.24 Favored 'General case' 0 C--N 1.332 -0.164 0 C-N-CA 120.441 -0.504 . . . . 0.0 109.833 178.162 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.572 ' NH2' ' CZ ' ' A' ' 86' ' ' ARG . 93.7 mtt180 -45.94 -25.7 0.59 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.602 -178.806 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 54.1 t -61.99 -39.59 84.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 C-N-CA 120.904 -0.319 . . . . 0.0 110.507 178.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 27.5 m-85 -83.33 -25.1 31.78 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 120.763 -0.375 . . . . 0.0 110.454 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.437 ' OD1' ' N ' ' A' ' 96' ' ' GLY . 62.1 t0 -92.13 81.38 5.04 Favored 'General case' 0 C--N 1.332 -0.181 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 178.752 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 65.5 pttt -70.27 -19.4 63.11 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 112.451 0.537 . . . . 0.0 112.451 -179.115 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -92.56 -21.92 19.82 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.751 -179.781 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . 0.437 ' N ' ' OD1' ' A' ' 93' ' ' ASP . . . 68.49 36.21 83.22 Favored Glycine 0 CA--C 1.523 0.543 0 N-CA-C 109.846 -1.302 . . . . 0.0 109.846 -179.111 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 56.4 t30 -91.68 -3.18 56.6 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.687 0.279 . . . . 0.0 110.632 -179.802 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . 0.406 ' C ' ' CD1' ' A' ' 99' ' ' TYR . . . 93.73 6.98 61.86 Favored Glycine 0 CA--C 1.529 0.917 0 C-N-CA 121.187 -0.53 . . . . 0.0 111.87 179.696 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.473 ' CD1' ' N ' ' A' ' 99' ' ' TYR . 15.1 m-85 -136.97 159.76 40.91 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-O 121.005 0.431 . . . . 0.0 111.403 -179.864 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.44 HD13 HG21 ' A' ' 100' ' ' ILE . 1.7 pt -131.2 146.16 34.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 N-CA-C 108.438 -0.949 . . . . 0.0 108.438 178.701 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 67.6 m -65.58 100.45 0.52 Allowed 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 120.077 -0.649 . . . . 0.0 110.737 -179.494 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.76 ' HB2' HG23 ' A' ' 136' ' ' VAL . . . -40.66 -30.86 0.13 Allowed 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 112.67 0.618 . . . . 0.0 112.67 -178.102 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -61.21 -39.49 90.44 Favored 'General case' 0 C--N 1.323 -0.564 0 C-N-CA 120.529 -0.469 . . . . 0.0 111.301 -179.3 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.595 ' O ' HG23 ' A' ' 108' ' ' VAL . 5.5 pt-20 -73.76 -30.68 62.93 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.694 -0.403 . . . . 0.0 110.861 -179.381 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 3.8 tt -60.05 -49.19 78.65 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.496 -0.482 . . . . 0.0 109.944 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . 0.538 ' O ' HG23 ' A' ' 110' ' ' THR . 8.4 tmm_? -57.43 -50.28 73.51 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.5 -0.48 . . . . 0.0 109.978 -179.338 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . 0.539 ' ND1' ' ND2' ' A' ' 111' ' ' ASN . 73.8 t60 -60.29 -47.16 87.21 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.252 0.549 . . . . 0.0 110.847 179.367 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.595 HG23 ' O ' ' A' ' 104' ' ' GLU . 66.1 t -62.13 -39.06 82.53 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 115.326 -0.852 . . . . 0.0 111.448 -179.737 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.75 -26.44 60.66 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.735 -179.238 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . 0.538 HG23 ' O ' ' A' ' 106' ' ' ARG . 52.3 p -99.49 -11.94 20.62 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 112.544 0.572 . . . . 0.0 112.544 -178.091 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . 0.539 ' ND2' ' ND1' ' A' ' 107' ' ' HIS . 68.2 m-80 -118.1 -27.09 6.19 Favored 'General case' 0 N--CA 1.47 0.567 0 N-CA-C 113.036 0.754 . . . . 0.0 113.036 -179.042 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.412 HD12 HG13 ' A' ' 108' ' ' VAL . 90.5 mt -113.5 -179.38 3.62 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-O 121.324 0.583 . . . . 0.0 111.585 -179.225 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 62.21 -123.41 31.09 Favored Glycine 0 CA--C 1.525 0.69 0 CA-C-N 115.261 -0.881 . . . . 0.0 112.448 178.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . 0.44 ' O ' ' O ' ' A' ' 115' ' ' LYS . 80.3 mm-40 -100.26 15.77 26.52 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.457 -0.371 . . . . 0.0 110.996 -179.49 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.44 ' O ' ' O ' ' A' ' 114' ' ' GLU . 49.0 mttm 46.32 103.47 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.628 -0.715 . . . . 0.0 111.256 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.479 ' N ' HD22 ' A' ' 116' ' ' LEU . 4.3 mm? -91.71 155.35 18.35 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.694 -0.685 . . . . 0.0 109.545 179.166 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 66.9 p -91.43 169.38 10.83 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.257 -0.645 . . . . 0.0 109.257 178.559 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -59.04 -39.29 81.53 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 120.493 -0.483 . . . . 0.0 110.379 -179.43 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -62.37 -44.17 97.1 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.849 -0.34 . . . . 0.0 110.663 179.698 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . 0.443 ' HB3' HD12 ' A' ' 116' ' ' LEU . 51.8 mt-10 -67.55 -42.93 81.85 Favored 'General case' 0 C--N 1.332 -0.189 0 C-N-CA 120.804 -0.358 . . . . 0.0 110.617 179.159 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.661 HG12 HD13 ' A' ' 125' ' ' ILE . 53.2 t -63.73 -46.47 94.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.298 179.283 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 68.3 t0 -49.94 -41.48 46.39 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 120.249 -0.58 . . . . 0.0 109.529 -179.388 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . 0.537 ' OE1' ' NH2' ' A' ' 126' ' ' ARG . 53.1 tp10 -62.41 -38.7 90.69 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 178.518 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 96.2 mtp -70.51 -38.93 74.37 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.689 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . 0.661 HD13 HG12 ' A' ' 121' ' ' VAL . 1.3 mp -60.17 -42.0 88.67 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.332 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.332 -179.029 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . 0.537 ' NH2' ' OE1' ' A' ' 123' ' ' GLU . 86.9 mtm180 -66.85 -26.12 66.75 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.873 0.368 . . . . 0.0 110.629 -179.882 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . 0.428 ' O ' ' OE2' ' A' ' 140' ' ' GLU . 80.3 mm-40 -95.93 -0.17 51.15 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.913 179.653 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 0.684 ' HB1' HG21 ' A' ' 136' ' ' VAL . . . -91.78 -77.26 0.43 Allowed 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 121.023 -0.271 . . . . 0.0 111.557 -179.082 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . 0.426 ' CG ' ' O ' ' A' ' 128' ' ' ALA . 1.2 m-20 168.86 -94.69 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.443 0 CA-C-O 120.919 0.39 . . . . 0.0 110.73 -179.832 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 130' ' ' ILE . . . . . 0.413 ' O ' HG22 ' A' ' 130' ' ' ILE . 22.3 mt . . . . . 0 C--N 1.326 -0.441 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.895 179.794 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.528 0.853 0 N-CA-C 111.827 -0.509 . . . . 0.0 111.827 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 8.7 pt20 -120.41 145.97 46.66 Favored 'General case' 0 N--CA 1.463 0.194 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 178.5 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . 0.76 HG23 ' HB2' ' A' ' 102' ' ' ALA . 5.0 t -127.11 134.38 66.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 121.096 0.474 . . . . 0.0 111.95 -178.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . 0.428 ' OD1' ' O ' ' A' ' 137' ' ' ASN . 36.5 p-10 -89.56 109.51 20.45 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 108.864 -0.791 . . . . 0.0 108.864 178.31 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 29.9 p90 -64.42 -8.45 13.47 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 120.628 -0.429 . . . . 0.0 111.715 -178.542 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -59.82 -49.95 75.72 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 120.346 -0.542 . . . . 0.0 111.078 -178.836 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . 0.462 ' OE2' ' O ' ' A' ' 128' ' ' ALA . 24.2 pt-20 -62.23 -38.11 87.94 Favored 'General case' 0 N--CA 1.463 0.224 0 C-N-CA 120.438 -0.505 . . . . 0.0 110.729 -179.036 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -61.11 -42.61 98.83 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.568 -0.53 . . . . 0.0 109.568 179.153 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 56.0 t -63.23 -41.19 91.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 178.483 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 88.0 mm-40 -61.55 -41.37 97.27 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.175 -0.676 . . . . 0.0 109.175 178.756 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 70.8 mtp -60.08 -44.46 94.75 Favored 'General case' 0 C--N 1.333 -0.116 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 179.015 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 65.3 mtt . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 115.51 -0.768 . . . . 0.0 111.592 -179.798 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 66.7 t0 . . . . . 0 C--O 1.231 0.098 0 N-CA-C 111.532 0.197 . . . . 0.0 111.532 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -59.71 137.58 89.96 Favored Pre-proline 0 CA--C 1.536 0.431 0 C-N-CA 120.583 -0.447 . . . . 0.0 110.401 -179.102 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -70.14 -22.2 30.64 Favored 'Trans proline' 0 N--CA 1.493 1.464 0 C-N-CA 122.332 2.021 . . . . 0.0 112.866 -179.565 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 59.8 mp0 -62.24 -40.29 95.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.477 -179.606 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 95.2 m -62.46 -45.83 91.27 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.792 -0.363 . . . . 0.0 110.228 179.742 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -62.87 -43.06 99.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.106 179.589 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 18.7 mmm180 -63.32 -40.48 97.46 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.502 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -61.86 -40.21 94.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.09 179.71 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -61.68 -39.2 90.57 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.733 179.821 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 53.4 t -60.6 -47.22 93.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.507 -179.173 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -61.77 -45.78 92.42 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.694 -0.402 . . . . 0.0 111.234 -179.274 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 91.6 mt -63.61 -47.81 89.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-O 121.062 0.458 . . . . 0.0 110.573 179.763 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 47' ' ' GLN . . . . . 0.409 ' OE1' ' N ' ' A' ' 114' ' ' GLU . 76.6 mt-30 -66.7 -39.56 88.13 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.426 179.852 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 96.7 p -62.35 -40.76 97.47 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 120.668 -0.413 . . . . 0.0 110.529 -179.502 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 29.3 mm100 -69.23 -37.99 78.29 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.933 179.38 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 50' ' ' PHE . . . . . 0.417 ' CZ ' ' NE2' ' B' ' 54' ' ' GLN . 59.4 t80 -59.3 -49.25 78.54 Favored 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 120.762 -0.375 . . . . 0.0 110.639 -179.296 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 63.3 ttm-85 -61.3 -45.05 96.08 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 120.699 -0.4 . . . . 0.0 110.189 179.72 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -61.29 -41.21 96.57 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 179.548 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 53' ' ' PHE . . . . . . . . . . . . . 91.2 t80 -58.98 -46.19 88.72 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.106 179.678 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 54' ' ' GLN . . . . . 0.417 ' NE2' ' CZ ' ' B' ' 50' ' ' PHE . 91.4 mt-30 -61.9 -40.4 95.32 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.098 -179.798 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 19.1 mmmt . . . . . 0 C--N 1.33 -0.262 0 CA-C-O 120.774 0.321 . . . . 0.0 110.967 -179.242 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 68.7 m . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.548 0.213 . . . . 0.0 111.255 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 3.2 pp20? -53.98 -31.7 51.67 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.184 0.516 . . . . 0.0 110.048 -179.758 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 24.2 pt-20 -69.88 -36.14 75.22 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.186 179.316 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -62.27 -47.49 84.12 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.551 -179.763 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 4.1 mm -65.28 -39.06 84.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 121.293 0.568 . . . . 0.0 109.491 178.651 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 79.9 ttt180 -59.64 -36.81 77.11 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.051 -0.977 . . . . 0.0 110.722 179.859 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -57.02 -41.21 78.15 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.831 -0.433 . . . . 0.0 109.831 -179.467 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -59.86 -34.63 73.37 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.549 179.324 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.402 ' O ' ' N ' ' A' ' 92' ' ' PHE . 60.7 m-85 -73.63 -41.6 62.56 Favored 'General case' 0 C--N 1.332 -0.184 0 C-N-CA 120.469 -0.492 . . . . 0.0 110.194 178.074 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -43.08 -30.11 0.41 Allowed 'General case' 0 CA--C 1.52 -0.179 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.129 -179.203 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 53.1 t -61.94 -41.26 90.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.706 179.616 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.427 ' CD1' ' OE1' ' A' ' 104' ' ' GLU . 23.1 m-85 -82.52 -27.72 31.54 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.495 -0.482 . . . . 0.0 110.056 179.461 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 67.9 t0 -92.02 96.51 10.39 Favored 'General case' 0 C--N 1.333 -0.13 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 178.802 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 60.8 mttt -97.87 -17.28 19.37 Favored 'General case' 0 CA--C 1.514 -0.43 0 CA-C-O 121.096 0.474 . . . . 0.0 110.1 -179.261 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 74.1 m-20 -80.49 -26.95 37.9 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.49 -0.777 . . . . 0.0 109.306 179.023 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 69.66 30.79 70.56 Favored Glycine 0 CA--C 1.523 0.536 0 N-CA-C 110.327 -1.109 . . . . 0.0 110.327 -179.663 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -94.86 -1.35 52.88 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 121.109 -0.236 . . . . 0.0 110.723 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . 0.415 ' C ' ' CD1' ' A' ' 99' ' ' TYR . . . 93.64 10.37 59.14 Favored Glycine 0 CA--C 1.529 0.91 0 C-N-CA 120.918 -0.658 . . . . 0.0 111.652 179.823 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.447 ' CD1' ' N ' ' A' ' 99' ' ' TYR . 17.8 m-85 -137.01 158.22 44.95 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-O 121.205 0.526 . . . . 0.0 112.239 -179.497 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.4 HG21 HD13 ' A' ' 100' ' ' ILE . 0.6 OUTLIER -130.41 146.38 34.13 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.093 0 N-CA-C 107.42 -1.326 . . . . 0.0 107.42 177.335 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 43.6 t -59.12 131.04 49.85 Favored 'General case' 0 C--N 1.323 -0.572 0 C-N-CA 119.685 -0.806 . . . . 0.0 109.986 -179.562 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.667 ' HB2' HG23 ' A' ' 136' ' ' VAL . . . -63.64 -36.9 85.36 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.126 0.488 . . . . 0.0 110.607 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -59.52 -41.98 91.22 Favored 'General case' 0 CA--C 1.535 0.388 0 N-CA-C 112.772 0.656 . . . . 0.0 112.772 -178.012 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.502 ' O ' HG23 ' A' ' 108' ' ' VAL . 0.7 OUTLIER -66.48 -28.66 68.75 Favored 'General case' 0 N--CA 1.465 0.299 0 C-N-CA 120.261 -0.576 . . . . 0.0 110.686 -179.289 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 1.8 tt -61.9 -48.58 79.81 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.064 -179.729 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . 0.547 ' CD ' HG11 ' A' ' 121' ' ' VAL . 14.5 tpt180 -55.9 -51.08 68.88 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.421 -179.812 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . 0.575 ' CE1' ' ND2' ' A' ' 111' ' ' ASN . 81.3 t60 -64.63 -47.72 77.5 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.18 0.514 . . . . 0.0 111.637 179.551 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.502 HG23 ' O ' ' A' ' 104' ' ' GLU . 53.1 t -62.45 -39.19 83.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.717 -0.674 . . . . 0.0 112.815 -178.707 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.11 -29.56 65.41 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 120.681 -0.408 . . . . 0.0 111.608 -179.378 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . 0.664 ' CG2' HG21 ' A' ' 121' ' ' VAL . 57.2 p -105.55 -13.2 15.68 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 112.474 0.546 . . . . 0.0 112.474 -178.092 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . 0.575 ' ND2' ' CE1' ' A' ' 107' ' ' HIS . 65.0 t30 -104.15 -38.23 7.0 Favored 'General case' 0 N--CA 1.464 0.261 0 N-CA-C 112.051 0.389 . . . . 0.0 112.051 -179.348 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 84.5 mt -111.21 -178.69 3.52 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.194 0.521 . . . . 0.0 111.476 -179.128 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 64.27 -123.37 27.57 Favored Glycine 0 CA--C 1.525 0.673 0 CA-C-N 115.322 -0.854 . . . . 0.0 112.679 178.836 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . 0.427 ' O ' ' O ' ' A' ' 115' ' ' LYS . 98.6 mt-10 -100.92 12.81 36.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.009 0.433 . . . . 0.0 111.196 -179.046 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.427 ' O ' ' O ' ' A' ' 114' ' ' GLU . 92.7 mttt 48.99 103.31 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.641 -0.708 . . . . 0.0 111.023 179.795 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.577 HD12 ' HB3' ' A' ' 120' ' ' GLU . 4.5 mm? -92.79 157.73 16.26 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.096 179.821 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . 0.478 ' O ' HG23 ' A' ' 121' ' ' VAL . 69.2 p -91.53 169.87 10.4 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 109.697 -0.483 . . . . 0.0 109.697 178.903 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -59.56 -39.99 85.84 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.754 -0.378 . . . . 0.0 110.583 -179.565 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 53.2 tp10 -62.27 -43.25 99.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.34 179.818 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . 0.577 ' HB3' HD12 ' A' ' 116' ' ' LEU . 77.6 mm-40 -67.94 -41.41 82.56 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.002 0.429 . . . . 0.0 110.302 179.134 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.664 HG21 ' CG2' ' A' ' 110' ' ' THR . 71.2 t -66.07 -44.04 92.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.569 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 68.1 t0 -57.59 -42.76 83.83 Favored 'General case' 0 C--N 1.323 -0.548 0 C-N-CA 120.226 -0.59 . . . . 0.0 109.949 -178.714 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 53.7 tp10 -62.05 -39.53 92.69 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 178.847 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . 0.615 ' SD ' ' CD1' ' B' ' 50' ' ' PHE . 47.4 mmm -64.87 -39.46 93.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.053 179.099 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . 0.539 HD13 HG12 ' A' ' 121' ' ' VAL . 0.8 OUTLIER -61.87 -40.49 87.28 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.148 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.055 -179.275 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 12.6 tpt180 -60.98 -30.1 70.07 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.043 0.449 . . . . 0.0 109.811 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 -96.4 -1.8 46.87 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.402 179.094 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 0.438 ' O ' ' OD1' ' A' ' 129' ' ' ASP . . . -90.42 -78.75 0.37 Allowed 'General case' 0 CA--C 1.531 0.223 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.178 -179.299 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . 0.519 ' OD2' ' ND2' ' A' ' 137' ' ' ASN . 3.7 m-20 166.59 -92.67 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.505 0 CA-C-O 120.872 0.367 . . . . 0.0 111.849 179.77 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 130' ' ' ILE . . . . . 0.716 ' O ' HG22 ' A' ' 130' ' ' ILE . 96.1 mt . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.268 -177.688 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.91 0 N-CA-C 112.245 -0.342 . . . . 0.0 112.245 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 16.1 pt20 -125.41 149.51 48.11 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-O 121.178 0.513 . . . . 0.0 110.868 179.535 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . 0.667 HG23 ' HB2' ' A' ' 102' ' ' ALA . 25.4 t -132.49 134.65 58.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 115.368 -0.833 . . . . 0.0 111.995 -179.097 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . 0.519 ' ND2' ' OD2' ' A' ' 129' ' ' ASP . 8.9 p30 -91.08 111.18 22.54 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.694 -0.685 . . . . 0.0 109.525 178.731 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 39.0 p90 -63.23 -8.7 8.86 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.568 -0.453 . . . . 0.0 111.583 -178.703 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 74.0 mm-40 -59.89 -49.83 76.14 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 120.156 -0.618 . . . . 0.0 110.978 -179.346 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 75.7 mm-40 -61.05 -39.37 89.58 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 120.709 0.29 . . . . 0.0 111.384 -179.102 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -63.03 -42.83 99.86 Favored 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 120.488 -0.485 . . . . 0.0 110.201 179.156 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 55.1 t -64.14 -39.2 84.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.599 179.021 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 28.8 mm100 -59.89 -43.07 95.01 Favored 'General case' 0 C--N 1.331 -0.201 0 C-N-CA 120.234 -0.587 . . . . 0.0 109.587 179.714 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 73.3 mtm -61.27 -42.71 99.11 Favored 'General case' 0 C--N 1.333 -0.122 0 C-N-CA 119.979 -0.688 . . . . 0.0 109.158 178.748 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 56.3 mtt . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 115.597 -0.729 . . . . 0.0 111.441 -179.859 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.808 0.337 . . . . 0.0 110.565 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -67.06 131.55 93.73 Favored Pre-proline 0 CA--C 1.537 0.466 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.27 -179.826 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -70.92 -21.49 28.03 Favored 'Trans proline' 0 N--CA 1.493 1.442 0 C-N-CA 121.978 1.786 . . . . 0.0 112.691 -179.762 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -62.57 -40.31 96.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.926 -179.512 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 96.7 m -62.4 -45.15 94.42 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.548 -179.75 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -61.88 -43.53 98.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.154 179.802 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 18.2 mmm180 -63.4 -40.52 97.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.65 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -61.92 -40.75 96.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.584 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -61.86 -39.48 92.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.661 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 53.5 t -61.47 -45.17 99.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.473 -179.464 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -60.83 -46.98 88.42 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.627 -0.429 . . . . 0.0 111.032 -179.279 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 92.1 mt -67.32 -47.68 80.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 C-N-CA 120.82 -0.352 . . . . 0.0 111.166 179.811 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 77.1 mt-30 -65.52 -41.14 93.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.985 -179.741 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 48.2 t -62.4 -44.21 97.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.101 0.477 . . . . 0.0 110.061 179.537 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 72.2 tp60 -63.38 -38.34 90.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.501 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 50' ' ' PHE . . . . . 0.615 ' CD1' ' SD ' ' A' ' 124' ' ' MET . 44.9 t80 -58.71 -48.05 82.47 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.374 -179.173 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 83.2 mtp180 -61.24 -41.0 96.13 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.356 -0.538 . . . . 0.0 110.306 -179.747 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 65.2 tttp -62.14 -41.57 98.4 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 179.122 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 53' ' ' PHE . . . . . . . . . . . . . 90.2 t80 -59.34 -45.88 90.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.608 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 54' ' ' GLN . . . . . 0.4 ' NE2' ' OE1' ' A' ' 120' ' ' GLU . 87.5 mt-30 -61.29 -39.42 90.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.759 -179.396 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 98.1 mttt . . . . . 0 C--N 1.329 -0.318 0 C-N-CA 120.799 -0.361 . . . . 0.0 110.356 179.916 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 90.7 p . . . . . 0 N--CA 1.465 0.315 0 CA-C-O 120.927 0.394 . . . . 0.0 110.445 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -53.25 -38.28 62.85 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 -179.582 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 22.1 pt-20 -64.0 -34.61 78.39 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.6 179.505 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -62.13 -47.9 82.54 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-O 120.916 0.388 . . . . 0.0 110.647 -179.374 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 4.3 mm -65.28 -38.39 82.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.042 -0.526 . . . . 0.0 109.827 179.045 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 42.1 ttm180 -59.3 -38.38 80.1 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.448 -0.796 . . . . 0.0 111.001 179.684 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 53.6 tp10 -56.64 -39.16 73.21 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 -179.625 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.54 -36.49 78.55 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.712 179.496 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 71.9 m-85 -75.88 -40.26 54.88 Favored 'General case' 0 C--N 1.332 -0.19 0 C-N-CA 120.686 -0.406 . . . . 0.0 110.69 178.625 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -49.31 -27.86 4.3 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.659 -178.318 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 55.1 t -61.41 -39.59 83.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 C-N-CA 121.063 -0.255 . . . . 0.0 110.782 179.102 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 28.8 m-85 -85.5 -22.47 28.17 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.649 -0.421 . . . . 0.0 111.079 -179.577 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 63.9 t0 -89.03 74.69 8.08 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 179.264 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 64.2 pttt -71.39 -28.21 63.87 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.925 0.393 . . . . 0.0 111.476 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -72.42 -25.84 61.63 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.83 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 69.36 27.16 73.89 Favored Glycine 0 CA--C 1.526 0.747 0 N-CA-C 110.625 -0.99 . . . . 0.0 110.625 -179.798 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -92.52 -3.01 55.78 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.677 0.275 . . . . 0.0 110.889 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 97.24 -5.67 63.17 Favored Glycine 0 CA--C 1.528 0.873 0 N-CA-C 111.433 -0.667 . . . . 0.0 111.433 -179.83 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.501 ' CD1' ' N ' ' A' ' 99' ' ' TYR . 12.8 m-85 -122.34 160.41 25.43 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.103 0.478 . . . . 0.0 111.378 -178.63 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -131.67 145.9 34.33 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 N-CA-C 108.079 -1.082 . . . . 0.0 108.079 178.527 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 68.8 m -57.52 130.02 44.44 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 120.028 -0.669 . . . . 0.0 110.448 -179.342 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.457 ' HB2' HG23 ' A' ' 136' ' ' VAL . . . -63.33 -39.72 95.34 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.118 0.485 . . . . 0.0 110.769 179.778 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -57.44 -42.93 83.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.683 -0.69 . . . . 0.0 109.734 -178.843 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 -60.03 -39.24 85.22 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.073 179.111 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 13.2 tp -59.58 -47.86 83.93 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.671 0.272 . . . . 0.0 110.456 -178.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . 0.694 ' NH1' HG21 ' A' ' 110' ' ' THR . 44.9 tpt85 -57.05 -49.5 75.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.562 -0.29 . . . . 0.0 110.534 -179.367 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . 0.584 ' NE2' ' ND2' ' A' ' 111' ' ' ASN . 85.7 t60 -63.11 -49.12 75.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.105 0.479 . . . . 0.0 111.602 179.538 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 50.8 t -62.16 -38.63 81.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.691 -0.686 . . . . 0.0 112.658 -179.06 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . 0.405 ' N ' ' SD ' ' A' ' 109' ' ' MET . 0.0 OUTLIER -68.97 -32.67 72.43 Favored 'General case' 0 C--N 1.321 -0.634 0 C-N-CA 120.723 -0.391 . . . . 0.0 111.377 -179.657 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . 0.694 HG21 ' NH1' ' A' ' 106' ' ' ARG . 41.0 p -106.24 -12.06 15.84 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 112.648 0.61 . . . . 0.0 112.648 -177.799 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . 0.584 ' ND2' ' NE2' ' A' ' 107' ' ' HIS . 65.5 t30 -103.88 -33.65 8.79 Favored 'General case' 0 N--CA 1.466 0.342 0 C-N-CA 120.701 -0.399 . . . . 0.0 112.051 -179.564 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 84.2 mt -116.97 -177.76 3.28 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.403 0.621 . . . . 0.0 111.512 -178.795 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 62.45 -127.17 39.25 Favored Glycine 0 CA--C 1.526 0.721 0 CA-C-N 114.983 -1.008 . . . . 0.0 112.571 178.862 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . 0.485 ' N ' ' OE1' ' B' ' 47' ' ' GLN . 80.5 mm-40 -92.89 9.33 35.88 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.996 0.427 . . . . 0.0 111.22 -178.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 10.8 mmmt 52.39 100.09 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.452 179.549 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.635 HD12 ' HB3' ' A' ' 120' ' ' GLU . 4.5 mm? -90.93 156.36 18.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.28 179.858 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 67.6 p -92.66 171.01 9.28 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.8 -0.445 . . . . 0.0 109.8 178.862 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . 0.518 ' OD1' ' NH2' ' A' ' 106' ' ' ARG . 98.5 m-20 -60.28 -40.16 89.43 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 120.604 -0.438 . . . . 0.0 110.262 -179.866 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -61.4 -43.16 99.34 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.669 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . 0.635 ' HB3' HD12 ' A' ' 116' ' ' LEU . 14.4 mm-40 -69.35 -45.0 70.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.955 0.407 . . . . 0.0 110.728 179.406 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.704 HG12 HD13 ' A' ' 125' ' ' ILE . 82.8 t -64.85 -42.83 95.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.48 -179.444 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -49.79 -41.36 44.29 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 120.313 -0.555 . . . . 0.0 110.395 -177.721 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 78.9 mm-40 -66.55 -31.42 72.12 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.22 0.533 . . . . 0.0 109.78 178.686 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 94.6 mtp -76.06 -30.31 58.33 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.084 179.489 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . 0.704 HD13 HG12 ' A' ' 121' ' ' VAL . 1.0 OUTLIER -61.2 -41.6 90.16 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.149 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.965 -179.35 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 20.8 mmm-85 -61.79 -63.58 1.22 Allowed 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.228 -0.589 . . . . 0.0 110.142 -179.519 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . 0.436 ' O ' ' OE2' ' A' ' 140' ' ' GLU . 79.9 mm-40 -60.07 -6.96 1.56 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.434 -178.644 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 0.596 ' HB1' ' CG2' ' A' ' 136' ' ' VAL . . . -77.9 -75.66 0.21 Allowed 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.834 -0.347 . . . . 0.0 110.887 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . 0.464 ' CG ' ' N ' ' A' ' 130' ' ' ILE . 2.4 t70 162.91 -85.05 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.35 0 CA-C-O 121.425 0.631 . . . . 0.0 110.616 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 130' ' ' ILE . . . . . 0.464 ' N ' ' CG ' ' A' ' 129' ' ' ASP . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.496 0 CA-C-N 114.956 -1.02 . . . . 0.0 110.982 -179.056 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.528 0.863 0 CA-C-O 120.034 -0.314 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . 0.42 ' O ' ' OD2' ' A' ' 129' ' ' ASP . 1.0 OUTLIER -128.72 151.0 50.03 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 121.353 0.597 . . . . 0.0 111.288 179.59 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . 0.596 ' CG2' ' HB1' ' A' ' 128' ' ' ALA . 27.3 t -132.45 134.06 59.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.187 -0.915 . . . . 0.0 111.949 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -91.99 110.94 22.31 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 108.645 -0.872 . . . . 0.0 108.645 178.663 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 33.2 p90 -65.0 -10.11 26.95 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 112.659 0.614 . . . . 0.0 112.659 -178.182 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -60.86 -50.5 73.19 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 119.984 -0.686 . . . . 0.0 111.793 -178.654 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . 0.436 ' OE2' ' O ' ' A' ' 127' ' ' GLU . 20.9 pt-20 -63.52 -36.91 85.35 Favored 'General case' 0 N--CA 1.465 0.286 0 C-N-CA 120.616 -0.434 . . . . 0.0 111.187 -178.904 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -62.1 -47.08 86.21 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 178.583 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 59.4 t -62.97 -43.88 99.32 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.796 179.537 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -62.13 -40.95 97.64 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 108.442 -0.947 . . . . 0.0 108.442 178.891 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 2.0 ttp -63.75 -48.25 77.73 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.106 -0.952 . . . . 0.0 109.551 178.13 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 62.4 mtt . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.424 179.794 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 . . . . . 0 C--O 1.23 0.06 0 CA-C-O 120.561 0.219 . . . . 0.0 111.107 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -92.35 112.09 53.64 Favored Pre-proline 0 CA--C 1.539 0.53 0 CA-C-N 116.548 -0.297 . . . . 0.0 110.669 -179.665 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_exo -52.26 -35.12 62.57 Favored 'Trans proline' 0 N--CA 1.497 1.718 0 C-N-CA 121.778 1.652 . . . . 0.0 112.197 179.288 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 78.8 mm-40 -61.23 -40.21 93.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.455 -179.366 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 97.2 m -61.82 -46.44 89.47 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.77 -0.372 . . . . 0.0 110.262 179.792 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -64.49 -40.44 95.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.529 179.627 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 30.9 mmt180 -63.57 -39.93 95.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.548 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -61.48 -40.66 95.34 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.263 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -61.95 -40.45 95.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.737 179.787 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 57.8 t -61.4 -47.75 91.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.338 -179.381 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 45' ' ' ALA . . . . . 0.455 ' O ' ' OE1' ' B' ' 49' ' ' GLN . . . -62.38 -45.1 94.69 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.775 -0.37 . . . . 0.0 111.063 -179.531 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 93.8 mt -63.06 -46.96 94.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-O 120.924 0.392 . . . . 0.0 110.498 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 47' ' ' GLN . . . . . 0.485 ' OE1' ' N ' ' A' ' 114' ' ' GLU . 76.7 mt-30 -65.76 -37.96 87.76 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.835 -0.62 . . . . 0.0 111.387 179.492 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 48' ' ' SER . . . . . 0.52 ' OG ' ' NZ ' ' B' ' 52' ' ' LYS . 48.4 t -59.53 -45.95 90.28 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.769 -0.373 . . . . 0.0 110.642 -179.291 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . 0.455 ' OE1' ' O ' ' B' ' 45' ' ' ALA . 7.3 mp0 -64.96 -36.15 83.48 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.785 -0.366 . . . . 0.0 111.068 179.488 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 59.3 t80 -59.06 -47.8 83.93 Favored 'General case' 0 C--N 1.332 -0.159 0 C-N-CA 120.481 -0.488 . . . . 0.0 110.085 179.808 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 51' ' ' ARG . . . . . 0.437 ' HE ' ' HZ3' ' B' ' 55' ' ' LYS . 82.0 mtp180 -62.17 -40.45 96.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.929 0.395 . . . . 0.0 110.273 179.645 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 52' ' ' LYS . . . . . 0.52 ' NZ ' ' OG ' ' B' ' 48' ' ' SER . 62.7 mttp -63.98 -38.52 91.37 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.953 179.55 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 53' ' ' PHE . . . . . . . . . . . . . 68.1 t80 -59.31 -49.02 79.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.297 -178.854 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 17.9 pt20 -71.35 -38.14 71.62 Favored 'General case' 0 C--N 1.331 -0.212 0 C-N-CA 120.613 -0.435 . . . . 0.0 111.546 -179.445 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . 0.437 ' HZ3' ' HE ' ' B' ' 51' ' ' ARG . 62.1 mttp . . . . . 0 C--N 1.331 -0.237 0 C-N-CA 120.642 -0.423 . . . . 0.0 110.838 179.415 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 70.9 m . . . . . 0 CA--C 1.524 -0.056 0 CA-C-O 120.664 0.269 . . . . 0.0 110.724 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.475 ' CD ' ' N ' ' A' ' 83' ' ' GLU . 3.2 pp20? -58.45 -35.2 71.78 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 120.271 -0.572 . . . . 0.0 109.831 179.892 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.475 ' N ' ' CD ' ' A' ' 82' ' ' GLU . 0.5 OUTLIER -68.3 -36.28 79.09 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.51 179.198 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -62.51 -41.37 98.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.081 0.467 . . . . 0.0 109.94 179.515 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 38.5 mm -64.81 -42.42 94.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.381 179.278 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -59.88 -36.05 76.12 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.143 -179.648 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -55.87 -40.29 72.74 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.4 -36.87 81.5 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.568 178.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 68.8 m-85 -75.75 -42.78 49.48 Favored 'General case' 0 C--O 1.231 0.118 0 C-N-CA 120.567 -0.453 . . . . 0.0 110.529 178.683 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -48.21 -24.27 1.11 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.5 -178.62 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 55.3 t -62.34 -39.46 84.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-O 120.709 0.29 . . . . 0.0 110.466 178.588 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 27.0 m-85 -87.68 -26.54 22.94 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.367 -0.378 . . . . 0.0 110.874 -179.695 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 45.4 t0 -88.71 71.4 8.75 Favored 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 179.254 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 26.4 pttm -71.1 -20.13 62.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.857 0.361 . . . . 0.0 111.738 -179.695 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -80.0 -26.55 39.85 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.502 179.77 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 69.14 29.42 72.18 Favored Glycine 0 CA--C 1.526 0.742 0 N-CA-C 110.642 -0.983 . . . . 0.0 110.642 -179.806 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . 0.423 ' OD1' ' N ' ' A' ' 99' ' ' TYR . 54.8 p30 -94.71 -0.51 54.25 Favored 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 120.972 -0.291 . . . . 0.0 110.663 179.571 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 92.94 8.55 61.71 Favored Glycine 0 CA--C 1.529 0.939 0 C-N-CA 121.129 -0.558 . . . . 0.0 111.866 179.627 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.457 ' CD1' ' N ' ' A' ' 99' ' ' TYR . 16.9 m-85 -136.22 158.16 45.08 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-O 121.076 0.465 . . . . 0.0 111.5 -179.841 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -131.34 146.49 33.64 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.111 0 N-CA-C 108.031 -1.1 . . . . 0.0 108.031 178.168 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 36.2 t -59.06 130.29 46.27 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 119.794 -0.763 . . . . 0.0 110.158 -179.761 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.716 ' HB2' HG23 ' A' ' 136' ' ' VAL . . . -64.06 -38.4 90.94 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.918 0.39 . . . . 0.0 110.951 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -60.34 -41.57 93.89 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.092 -0.504 . . . . 0.0 112.283 -178.403 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.623 ' O ' HG23 ' A' ' 108' ' ' VAL . 4.3 pt-20 -69.08 -31.02 69.46 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.455 -0.498 . . . . 0.0 110.522 -179.16 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 4.1 tt -61.32 -49.23 77.83 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.2 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . 0.435 ' HE ' HG11 ' A' ' 121' ' ' VAL . 0.0 OUTLIER -57.13 -51.03 70.93 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 120.611 -0.435 . . . . 0.0 110.255 -179.77 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . 0.511 ' CE1' ' ND2' ' A' ' 111' ' ' ASN . 78.1 t60 -59.54 -46.57 88.5 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.25 0.547 . . . . 0.0 110.419 179.279 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.623 HG23 ' O ' ' A' ' 104' ' ' GLU . 58.0 t -62.77 -39.37 84.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 115.396 -0.82 . . . . 0.0 111.313 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.74 -29.67 64.78 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.901 -0.591 . . . . 0.0 111.804 -179.64 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . 0.492 ' CG2' HG21 ' A' ' 121' ' ' VAL . 64.1 p -104.88 -15.61 15.12 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 112.275 0.472 . . . . 0.0 112.275 -178.392 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . 0.511 ' ND2' ' CE1' ' A' ' 107' ' ' HIS . 60.0 t30 -106.16 -26.51 11.55 Favored 'General case' 0 N--CA 1.465 0.291 0 N-CA-C 112.29 0.478 . . . . 0.0 112.29 -178.9 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 77.6 mt -121.86 -178.26 3.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.395 0.617 . . . . 0.0 111.67 -178.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 61.7 -123.66 32.37 Favored Glycine 0 CA--C 1.524 0.614 0 CA-C-N 114.897 -1.047 . . . . 0.0 112.381 178.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . 0.5 ' N ' ' OE1' ' B' ' 47' ' ' GLN . 79.6 mm-40 -97.15 12.32 33.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.813 0.339 . . . . 0.0 111.23 -179.106 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.457 ' O ' ' O ' ' A' ' 114' ' ' GLU . 51.3 mttp 47.58 104.1 0.0 OUTLIER 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.749 -0.659 . . . . 0.0 111.043 179.544 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.621 HD12 ' HB3' ' A' ' 120' ' ' GLU . 4.5 mm? -92.57 156.14 17.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.245 179.891 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . 0.61 ' O ' HG23 ' A' ' 121' ' ' VAL . 69.9 p -91.7 170.4 9.94 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 109.835 -0.432 . . . . 0.0 109.835 179.292 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -59.04 -41.5 88.0 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.747 -0.381 . . . . 0.0 110.763 -179.072 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -63.14 -42.58 99.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.577 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . 0.621 ' HB3' HD12 ' A' ' 116' ' ' LEU . 76.3 mm-40 -67.09 -39.64 86.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.279 0.561 . . . . 0.0 109.727 178.658 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.61 HG23 ' O ' ' A' ' 117' ' ' THR . 51.6 t -61.06 -44.69 98.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.182 -0.917 . . . . 0.0 110.765 179.659 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -57.96 -42.14 84.33 Favored 'General case' 0 C--N 1.32 -0.685 0 C-N-CA 120.319 -0.552 . . . . 0.0 109.804 -179.467 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -63.11 -40.07 96.54 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 178.689 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . 0.601 ' SD ' ' CD1' ' B' ' 50' ' ' PHE . 36.5 mmm -65.34 -41.15 94.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.055 -0.975 . . . . 0.0 110.702 -179.882 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . 0.454 HD13 HG12 ' A' ' 121' ' ' VAL . 0.9 OUTLIER -68.13 -34.87 69.06 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.155 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.658 -179.717 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 61.6 ttp180 -60.34 -33.77 72.89 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.067 0.461 . . . . 0.0 110.355 179.866 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 -96.42 -3.49 43.42 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.0 179.448 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 0.404 ' O ' ' CG ' ' A' ' 129' ' ' ASP . . . -86.3 -75.61 0.38 Allowed 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 112.048 0.388 . . . . 0.0 112.048 -178.607 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . 0.404 ' CG ' ' O ' ' A' ' 128' ' ' ALA . 1.0 OUTLIER 168.97 -90.26 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.442 0 CA-C-O 121.128 0.489 . . . . 0.0 112.267 -179.818 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 130' ' ' ILE . . . . . 0.729 ' O ' HG22 ' A' ' 130' ' ' ILE . 68.9 mt . . . . . 0 C--N 1.325 -0.474 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.929 -177.843 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.953 0 N-CA-C 111.995 -0.442 . . . . 0.0 111.995 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 12.0 pt20 -125.68 151.47 46.53 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-O 121.119 0.485 . . . . 0.0 110.633 179.249 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . 0.716 HG23 ' HB2' ' A' ' 102' ' ' ALA . 43.9 t -128.12 134.46 65.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.455 -0.793 . . . . 0.0 111.84 -178.809 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . 0.44 ' OD1' ' O ' ' A' ' 137' ' ' ASN . 37.6 p-10 -93.08 110.71 22.19 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.574 178.491 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 37.8 p90 -60.96 -7.6 2.56 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.79 -0.364 . . . . 0.0 111.813 -178.783 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -59.94 -49.64 76.88 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 120.028 -0.669 . . . . 0.0 110.581 -179.28 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -60.55 -42.09 95.85 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 121.01 -0.276 . . . . 0.0 111.057 -179.229 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -59.63 -47.69 84.6 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 179.122 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 54.3 t -62.93 -44.43 99.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.099 179.424 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -61.86 -40.34 95.0 Favored 'General case' 0 N--CA 1.454 -0.238 0 N-CA-C 108.315 -0.995 . . . . 0.0 108.315 178.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 5.9 ttp -62.01 -47.9 82.7 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 114.813 -1.085 . . . . 0.0 109.701 178.132 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 64.9 mtt . . . . . 0 C--N 1.329 -0.283 0 N-CA-C 112.002 0.371 . . . . 0.0 112.002 179.937 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 55.5 p30 . . . . . 0 N--CA 1.456 -0.126 0 CA-C-O 120.905 0.383 . . . . 0.0 110.215 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -90.35 113.7 58.44 Favored Pre-proline 0 CA--C 1.539 0.542 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.193 179.704 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 80.0 Cg_exo -50.54 -32.65 35.82 Favored 'Trans proline' 0 N--CA 1.498 1.772 0 C-N-CA 121.9 1.733 . . . . 0.0 112.305 179.289 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -60.87 -39.17 88.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.818 -179.424 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 93.9 m -61.9 -43.81 98.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.849 0.357 . . . . 0.0 110.388 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -61.98 -40.26 95.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.652 -179.61 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 31.7 mmt180 -63.2 -39.88 95.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.798 0.332 . . . . 0.0 110.28 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -61.87 -39.86 93.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.219 179.58 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -61.02 -39.58 90.31 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.624 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 57.5 t -61.34 -46.6 96.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.488 -179.381 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -61.36 -45.78 92.98 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.597 -0.441 . . . . 0.0 110.978 -179.417 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 92.2 mt -64.09 -47.42 90.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.853 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 47' ' ' GLN . . . . . 0.5 ' OE1' ' N ' ' A' ' 114' ' ' GLU . 77.3 mt-30 -66.24 -39.1 89.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.355 179.85 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 74.5 m -61.24 -42.28 98.34 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.863 -0.335 . . . . 0.0 110.6 -179.635 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 96.8 mm-40 -64.71 -39.18 93.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.464 179.604 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 50' ' ' PHE . . . . . 0.601 ' CD1' ' SD ' ' A' ' 124' ' ' MET . 47.3 t80 -58.97 -47.37 85.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.639 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 89.1 mtm180 -60.94 -40.3 92.75 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.587 -0.445 . . . . 0.0 110.042 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 62.9 mttp -65.32 -39.2 92.16 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.929 179.626 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 53' ' ' PHE . . . . . . . . . . . . . 71.8 t80 -60.28 -49.44 77.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.662 -178.818 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 18.8 pt20 -68.3 -28.14 66.92 Favored 'General case' 0 C--N 1.332 -0.192 0 C-N-CA 120.751 -0.38 . . . . 0.0 111.099 -179.532 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 17.6 mmmt . . . . . 0 C--N 1.329 -0.321 0 CA-C-O 120.901 0.382 . . . . 0.0 110.198 179.149 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 67.5 m . . . . . 0 N--CA 1.463 0.18 0 CA-C-O 120.959 0.409 . . . . 0.0 110.434 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -56.58 -39.25 73.21 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.368 -0.604 . . . . 0.0 109.368 -179.527 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.407 ' CG ' ' N ' ' A' ' 84' ' ' GLU . 22.8 pt-20 -64.47 -38.14 89.98 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.559 179.508 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.407 ' N ' ' CG ' ' A' ' 83' ' ' GLU . 98.0 mt-10 -62.9 -46.29 88.53 Favored 'General case' 0 C--O 1.232 0.143 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.436 -179.226 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 4.2 mm -67.77 -39.01 81.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 178.662 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 41.8 ttm180 -59.56 -37.53 78.7 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.076 -0.965 . . . . 0.0 110.434 179.288 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -56.27 -39.88 73.35 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.634 -179.645 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -59.44 -32.74 70.49 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.539 179.344 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.437 ' O ' ' OD1' ' A' ' 93' ' ' ASP . 84.4 m-85 -79.73 -38.92 32.27 Favored 'General case' 0 CA--C 1.53 0.18 0 C-N-CA 120.656 -0.418 . . . . 0.0 110.064 178.144 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -53.86 -25.73 21.19 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.715 -178.671 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 54.9 t -60.43 -38.35 77.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 178.41 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 10.0 m-85 -88.88 -24.19 22.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.305 179.762 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.534 ' N ' ' OD1' ' A' ' 93' ' ' ASP . 0.0 OUTLIER -86.36 75.08 9.86 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-O 121.335 0.588 . . . . 0.0 110.174 179.921 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 19.5 mtpt -92.29 -18.81 22.87 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 59.8 t0 -70.54 -28.45 64.93 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.499 -0.773 . . . . 0.0 109.489 178.828 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 72.29 18.8 78.37 Favored Glycine 0 CA--C 1.526 0.758 0 CA-C-N 115.63 -0.714 . . . . 0.0 111.329 179.385 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 52.1 p-10 -90.65 -3.87 57.2 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.701 -0.4 . . . . 0.0 111.384 -179.788 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 95.42 -6.64 68.36 Favored Glycine 0 CA--C 1.53 0.998 0 N-CA-C 111.489 -0.644 . . . . 0.0 111.489 179.79 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.469 ' CD1' ' N ' ' A' ' 99' ' ' TYR . 12.0 m-85 -123.5 161.24 25.28 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.05 0.452 . . . . 0.0 111.366 -178.663 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.463 HG22 ' OD1' ' A' ' 93' ' ' ASP . 0.2 OUTLIER -128.22 141.48 46.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 N-CA-C 107.584 -1.265 . . . . 0.0 107.584 177.889 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 70.8 m -60.08 135.65 57.78 Favored 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 119.807 -0.757 . . . . 0.0 110.034 -179.386 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.486 ' HB2' HG23 ' A' ' 136' ' ' VAL . . . -63.6 -36.79 84.97 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.081 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -60.13 -41.65 93.12 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 112.281 0.475 . . . . 0.0 112.281 -178.519 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.686 ' O ' HG23 ' A' ' 108' ' ' VAL . 4.7 pt-20 -68.21 -32.16 72.17 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.351 -0.54 . . . . 0.0 110.333 -179.34 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 2.7 tt -61.8 -47.86 83.23 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.634 -0.506 . . . . 0.0 109.634 179.356 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . 0.529 ' NH1' HG21 ' A' ' 110' ' ' THR . 29.3 tpt85 -55.79 -50.59 70.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.212 -179.137 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . 0.616 ' CE1' ' ND2' ' A' ' 111' ' ' ASN . 82.7 t60 -63.28 -46.48 86.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.296 0.569 . . . . 0.0 110.882 179.08 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.686 HG23 ' O ' ' A' ' 104' ' ' GLU . 63.9 t -62.13 -41.75 92.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 115.178 -0.919 . . . . 0.0 111.884 -179.105 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.49 -28.29 62.8 Favored 'General case' 0 N--CA 1.465 0.322 0 N-CA-C 111.843 0.312 . . . . 0.0 111.843 -179.339 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . 0.529 HG21 ' NH1' ' A' ' 106' ' ' ARG . 58.4 p -104.47 -16.25 15.13 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 120.679 -0.409 . . . . 0.0 111.97 -178.621 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . 0.616 ' ND2' ' CE1' ' A' ' 107' ' ' HIS . 57.6 t30 -108.75 -48.72 3.26 Favored 'General case' 0 N--CA 1.466 0.355 0 N-CA-C 112.642 0.608 . . . . 0.0 112.642 -178.736 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.541 HD13 HG22 ' B' ' 39' ' ' THR . 89.1 mt -92.98 139.29 30.68 Favored 'General case' 0 N--CA 1.465 0.325 0 N-CA-C 111.883 0.327 . . . . 0.0 111.883 -178.555 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . 0.566 ' O ' ' C ' ' A' ' 114' ' ' GLU . . . 57.23 125.34 0.01 OUTLIER Glycine 0 C--N 1.335 0.492 0 N-CA-C 111.352 -0.699 . . . . 0.0 111.352 178.653 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . 0.566 ' C ' ' O ' ' A' ' 113' ' ' GLY . 2.9 tt0 10.23 94.49 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.583 0 O-C-N 124.129 0.547 . . . . 0.0 110.836 179.729 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 62.6 mttp -53.77 136.83 39.33 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.695 -176.761 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.639 HD12 ' HB3' ' A' ' 120' ' ' GLU . 4.5 mm? -90.74 157.86 17.19 Favored 'General case' 0 CA--C 1.529 0.142 0 CA-C-N 115.657 -0.701 . . . . 0.0 109.125 178.75 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . 0.431 ' O ' HG23 ' A' ' 121' ' ' VAL . 72.7 p -92.28 169.45 10.58 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 120.785 -0.366 . . . . 0.0 110.112 179.396 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 68.3 t0 -57.69 -42.82 84.41 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.93 -0.308 . . . . 0.0 110.834 -179.255 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 -62.39 -41.55 98.73 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.781 -0.368 . . . . 0.0 110.566 -179.767 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . 0.639 ' HB3' HD12 ' A' ' 116' ' ' LEU . 51.5 mt-10 -69.82 -40.25 76.02 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.1 178.78 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.471 HG21 ' CG2' ' A' ' 110' ' ' THR . 55.3 t -64.06 -45.61 96.13 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.254 0 CA-C-O 120.99 0.424 . . . . 0.0 110.66 178.752 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . 0.525 ' OD1' ' NH1' ' A' ' 126' ' ' ARG . 68.5 t0 -55.9 -43.18 77.03 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 120.354 -0.538 . . . . 0.0 110.288 -178.873 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 53.7 tp10 -62.06 -38.27 88.13 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.191 -0.67 . . . . 0.0 109.191 178.64 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . 0.51 ' SD ' ' CE1' ' B' ' 50' ' ' PHE . 50.7 mmm -68.89 -39.06 79.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.931 179.492 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 1.2 mp -63.77 -37.42 79.65 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.222 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.019 -179.315 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . 0.525 ' NH1' ' OD1' ' A' ' 122' ' ' ASP . 82.1 mtt85 -66.0 -27.22 67.97 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.936 0.398 . . . . 0.0 110.576 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 -96.35 -6.14 38.33 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.2 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 0.621 ' HB1' HG21 ' A' ' 136' ' ' VAL . . . -84.99 -73.27 0.44 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.3 -179.073 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . 0.448 ' CB ' ' O ' ' A' ' 128' ' ' ALA . 1.5 m-20 161.89 -97.05 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.628 0 CA-C-O 120.824 0.345 . . . . 0.0 111.018 179.555 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 73.8 mt . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.16 -178.972 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.1 0 CA-C-O 119.88 -0.4 . . . . 0.0 113.542 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -119.29 149.98 40.89 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 117.466 0.633 . . . . 0.0 109.645 178.291 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . 0.621 HG21 ' HB1' ' A' ' 128' ' ' ALA . 45.3 t -131.89 135.05 59.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 121.138 0.494 . . . . 0.0 111.945 -179.261 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -95.24 110.18 22.2 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.602 -0.727 . . . . 0.0 109.491 178.498 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 45.9 p90 -59.88 -11.27 5.14 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 120.606 -0.437 . . . . 0.0 111.598 -178.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -59.68 -50.04 75.4 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 119.705 -0.798 . . . . 0.0 109.956 -179.41 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -59.6 -41.69 90.9 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 120.913 -0.315 . . . . 0.0 110.636 -179.334 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . 0.536 ' O ' ' SD ' ' A' ' 145' ' ' MET . 3.6 m-85 -62.1 -41.52 98.29 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.323 -0.551 . . . . 0.0 109.884 178.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 53.3 t -63.35 -40.64 89.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 C-N-CA 120.333 -0.547 . . . . 0.0 110.129 178.884 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 86.5 mm-40 -60.79 -40.91 94.39 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 109.146 -0.687 . . . . 0.0 109.146 179.213 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 144' ' ' MET . . . . . 0.465 ' O ' ' CE1' ' B' ' 53' ' ' PHE . 71.7 mtp -60.62 -45.72 92.95 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.479 179.408 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . 0.536 ' SD ' ' O ' ' A' ' 141' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--N 1.331 -0.205 0 CA-C-N 115.954 -0.567 . . . . 0.0 111.33 -179.857 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 55.2 p30 . . . . . 0 CA--C 1.529 0.137 0 N-CA-C 111.61 0.226 . . . . 0.0 111.61 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -101.73 148.31 35.09 Favored Pre-proline 0 CA--C 1.532 0.286 0 C-N-CA 120.764 -0.375 . . . . 0.0 110.442 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -68.7 -27.84 31.52 Favored 'Trans proline' 0 N--CA 1.492 1.423 0 C-N-CA 122.422 2.081 . . . . 0.0 112.599 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -63.16 -40.9 98.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.842 -179.756 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . 0.541 HG22 HD13 ' A' ' 112' ' ' LEU . 97.3 m -62.44 -49.43 75.46 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.16 -179.441 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -66.52 -42.97 86.47 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.27 0.557 . . . . 0.0 109.727 179.292 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 29.1 tpt180 -61.51 -44.47 97.02 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.223 -0.899 . . . . 0.0 110.514 179.709 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -60.83 -40.13 91.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.412 -179.831 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -61.36 -41.77 97.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.281 179.779 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 59.4 t -63.15 -43.89 99.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.317 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -60.62 -46.31 90.77 Favored 'General case' 0 N--CA 1.463 0.211 0 C-N-CA 120.705 -0.398 . . . . 0.0 111.175 -179.054 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 91.4 mt -64.49 -46.3 93.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-O 121.154 0.502 . . . . 0.0 110.101 179.267 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 47' ' ' GLN . . . . . 0.453 ' OE1' ' O ' ' A' ' 113' ' ' GLY . 81.7 mt-30 -64.52 -41.25 96.51 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.422 -0.808 . . . . 0.0 111.544 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 75.1 m -61.9 -43.8 98.11 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.784 -0.366 . . . . 0.0 110.333 -179.411 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 8.2 tp-100 -67.48 -38.23 84.06 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 179.349 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 50' ' ' PHE . . . . . 0.51 ' CE1' ' SD ' ' A' ' 124' ' ' MET . 40.6 t80 -59.05 -48.03 83.06 Favored 'General case' 0 C--N 1.333 -0.114 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.128 -179.724 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 44.1 ttm180 -59.56 -45.24 92.41 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 120.618 -0.433 . . . . 0.0 110.358 -179.871 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 64.8 tttm -62.02 -40.45 95.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.055 0.455 . . . . 0.0 109.923 179.356 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 53' ' ' PHE . . . . . 0.465 ' CE1' ' O ' ' A' ' 144' ' ' MET . 86.5 t80 -58.8 -44.04 90.66 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.611 -179.869 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 54' ' ' GLN . . . . . 0.474 ' NE2' ' CZ ' ' B' ' 50' ' ' PHE . 91.4 mt-30 -59.99 -40.28 88.62 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.82 -179.119 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 62.5 mttp . . . . . 0 C--N 1.33 -0.275 0 C-N-CA 120.799 -0.36 . . . . 0.0 110.674 179.802 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 66.1 m . . . . . 0 CA--C 1.52 -0.199 0 CA-C-O 120.769 0.319 . . . . 0.0 110.76 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 15.8 tm-20 -56.9 -38.84 73.38 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.249 -0.649 . . . . 0.0 109.249 179.744 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.413 ' OE2' ' OE2' ' A' ' 84' ' ' GLU . 1.2 pp20? -67.61 -35.26 78.61 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.728 179.283 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.413 ' OE2' ' OE2' ' A' ' 83' ' ' GLU . 79.8 mm-40 -63.92 -44.8 91.82 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-O 120.913 0.387 . . . . 0.0 110.795 -179.735 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 4.2 mm -68.13 -38.63 80.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 121.282 0.563 . . . . 0.0 109.741 178.826 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 80.1 ttt180 -60.35 -38.55 84.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.204 -0.907 . . . . 0.0 110.533 179.592 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -57.54 -38.58 74.97 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.788 -0.642 . . . . 0.0 109.967 -179.655 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -59.97 -34.45 73.31 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.526 179.428 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 74.4 m-85 -75.12 -39.86 60.25 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.359 -0.536 . . . . 0.0 110.344 178.239 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 1.2 mpt_? -44.5 -30.44 0.88 Allowed 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.484 -179.402 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.659 HG11 HG23 ' B' ' 39' ' ' THR . 52.5 t -60.98 -39.7 83.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.975 179.679 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 16.4 m-85 -87.53 -26.58 23.09 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 120.768 -0.373 . . . . 0.0 110.525 -179.698 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.446 ' OD1' ' O ' ' A' ' 99' ' ' TYR . 38.6 t70 -89.99 68.99 7.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.309 -0.405 . . . . 0.0 109.926 179.053 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 26.5 pttm -76.99 -20.11 56.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.014 0.435 . . . . 0.0 111.153 179.612 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . 0.526 ' OD2' ' ND2' ' A' ' 97' ' ' ASN . 51.4 t0 -73.72 -28.65 61.82 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.333 179.648 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 73.87 21.77 78.86 Favored Glycine 0 CA--C 1.528 0.878 0 N-CA-C 111.265 -0.734 . . . . 0.0 111.265 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . 0.526 ' ND2' ' OD2' ' A' ' 95' ' ' ASP . 98.6 m-20 -91.46 -4.25 55.77 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 120.833 -0.347 . . . . 0.0 111.313 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . 0.429 ' C ' ' CD1' ' A' ' 99' ' ' TYR . . . 93.36 11.59 58.22 Favored Glycine 0 CA--C 1.532 1.152 0 C-N-CA 120.805 -0.712 . . . . 0.0 111.479 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.446 ' O ' ' OD1' ' A' ' 93' ' ' ASP . 18.9 m-85 -136.9 157.59 46.39 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-O 121.159 0.504 . . . . 0.0 112.163 -179.722 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.442 HG21 HD13 ' A' ' 100' ' ' ILE . 0.3 OUTLIER -129.07 142.01 45.14 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 177.657 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 67.9 m -58.87 130.4 46.77 Favored 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 119.87 -0.732 . . . . 0.0 110.043 -179.372 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.607 ' HB2' HG23 ' A' ' 136' ' ' VAL . . . -63.26 -38.24 90.39 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.976 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -60.05 -40.26 88.82 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.656 0.613 . . . . 0.0 112.656 -178.152 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.511 ' O ' HG23 ' A' ' 108' ' ' VAL . 5.1 pt-20 -70.38 -28.6 65.22 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.59 -0.444 . . . . 0.0 110.674 -179.057 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 3.4 tt -60.53 -48.64 80.89 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . 0.685 ' CZ ' HG11 ' A' ' 121' ' ' VAL . 7.9 tpp180 -55.16 -51.59 66.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.251 -0.431 . . . . 0.0 109.922 179.84 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 79.3 t60 -61.11 -47.59 85.59 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.111 0.481 . . . . 0.0 111.237 179.637 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.511 HG23 ' O ' ' A' ' 104' ' ' GLU . 53.8 t -61.38 -40.84 87.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 115.607 -0.724 . . . . 0.0 112.119 -179.082 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.62 -29.15 64.34 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.23 -0.441 . . . . 0.0 112.075 -179.171 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . 0.514 ' CG2' HG21 ' A' ' 121' ' ' VAL . 41.5 p -102.96 -11.43 18.2 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 112.37 0.507 . . . . 0.0 112.37 -177.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 24.0 t-20 -111.02 -49.18 3.04 Favored 'General case' 0 N--CA 1.467 0.376 0 N-CA-C 112.237 0.458 . . . . 0.0 112.237 -178.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 92.5 mt -92.83 163.47 13.7 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-O 121.214 0.53 . . . . 0.0 112.143 -178.693 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 63.61 -116.5 9.33 Favored Glycine 0 CA--C 1.523 0.542 0 CA-C-N 115.307 -0.86 . . . . 0.0 111.713 179.016 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . 0.609 ' O ' HD22 ' A' ' 116' ' ' LEU . 78.8 mm-40 -113.23 93.14 4.27 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.433 -0.58 . . . . 0.0 109.433 179.122 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 62.5 mttp -35.06 116.95 0.37 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.119 -0.491 . . . . 0.0 112.036 -178.022 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.609 HD22 ' O ' ' A' ' 114' ' ' GLU . 3.8 mm? -88.9 155.98 19.19 Favored 'General case' 0 N--CA 1.462 0.161 0 N-CA-C 108.687 -0.857 . . . . 0.0 108.687 178.36 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 59.4 p -88.96 165.64 14.44 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.829 -0.434 . . . . 0.0 109.829 178.863 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . 0.415 ' HA ' HH12 ' A' ' 106' ' ' ARG . 98.3 m-20 -59.8 -39.89 86.5 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 120.583 -0.447 . . . . 0.0 110.143 -179.665 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -61.89 -41.23 97.65 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.092 179.853 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . 0.594 ' HB3' HD12 ' A' ' 116' ' ' LEU . 48.8 mt-10 -70.42 -43.67 69.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.98 178.736 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.685 HG11 ' CZ ' ' A' ' 106' ' ' ARG . 79.2 t -65.48 -44.44 94.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.621 179.841 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -54.59 -39.17 67.55 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 120.049 -0.66 . . . . 0.0 109.234 -178.83 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -62.86 -38.21 89.92 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.801 -0.636 . . . . 0.0 109.342 178.07 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 97.0 mtp -69.9 -39.32 76.3 Favored 'General case' 0 C--O 1.231 0.131 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.663 179.622 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . 0.628 HD13 HG12 ' A' ' 121' ' ' VAL . 1.2 mp -59.73 -37.79 72.84 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.137 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.571 -179.447 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -67.73 -26.66 66.25 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.527 179.648 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -96.11 -10.82 27.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.868 179.702 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 0.63 ' HB1' HG21 ' A' ' 136' ' ' VAL . . . -79.69 -70.98 0.47 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.406 -179.122 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . 0.446 ' CB ' ' O ' ' A' ' 128' ' ' ALA . 1.2 m-20 163.11 -93.67 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.559 0 CA-C-O 121.002 0.43 . . . . 0.0 111.377 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 130' ' ' ILE . . . . . 0.697 ' O ' HG22 ' A' ' 130' ' ' ILE . 76.7 mt . . . . . 0 C--N 1.325 -0.464 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.404 -178.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.664 0 N-CA-C 111.227 -0.749 . . . . 0.0 111.227 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -123.21 148.93 45.3 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 109.788 -0.449 . . . . 0.0 109.788 179.113 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . 0.63 HG21 ' HB1' ' A' ' 128' ' ' ALA . 38.5 t -127.39 133.37 68.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.896 -179.096 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . 0.445 ' OD1' ' O ' ' A' ' 137' ' ' ASN . 43.3 p-10 -92.2 112.56 24.54 Favored 'General case' 0 N--CA 1.451 -0.407 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 178.489 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 38.9 p90 -62.63 -8.88 7.31 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 112.08 0.4 . . . . 0.0 112.08 -178.478 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 15.7 tm-20 -60.03 -50.97 71.64 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 119.882 -0.727 . . . . 0.0 110.784 -179.315 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -61.46 -40.33 94.12 Favored 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 120.732 -0.387 . . . . 0.0 110.857 -179.117 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -60.75 -46.8 89.03 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.519 -0.473 . . . . 0.0 109.87 178.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 53.6 t -63.12 -44.58 99.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 C-N-CA 120.703 -0.399 . . . . 0.0 110.468 179.384 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 10.7 tp-100 -61.53 -42.15 98.39 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 108.8 -0.815 . . . . 0.0 108.8 178.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 2.1 ttp -63.41 -48.73 76.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.394 -0.821 . . . . 0.0 109.537 178.041 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 10.5 tpp . . . . . 0 C--N 1.324 -0.518 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.844 -179.558 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 . . . . . 0 C--O 1.231 0.115 0 N-CA-C 111.622 0.23 . . . . 0.0 111.622 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.32 122.98 74.06 Favored Pre-proline 0 CA--C 1.541 0.601 0 C-N-CA 120.623 -0.431 . . . . 0.0 110.49 -179.218 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_exo -51.44 -34.09 49.66 Favored 'Trans proline' 0 N--CA 1.5 1.878 0 C-N-CA 121.967 1.778 . . . . 0.0 112.881 179.328 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -54.8 -39.44 68.48 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.851 -0.34 . . . . 0.0 111.057 -178.718 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . 0.659 HG23 HG11 ' A' ' 91' ' ' VAL . 92.5 m -63.91 -44.09 94.0 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.529 -0.468 . . . . 0.0 110.136 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -62.97 -41.79 99.64 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.571 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 6.7 mmp_? -64.22 -39.51 94.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.241 179.82 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -61.31 -41.12 96.47 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.332 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -61.98 -39.6 92.71 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.536 179.746 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 53.2 t -61.22 -44.74 98.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.253 -179.659 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -60.64 -47.21 87.27 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.583 -0.447 . . . . 0.0 110.924 -179.338 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 92.9 mt -66.4 -47.2 84.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 C-N-CA 120.662 -0.415 . . . . 0.0 111.064 179.664 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 47' ' ' GLN . . . . . 0.522 ' NE2' ' O ' ' A' ' 114' ' ' GLU . 39.7 mt-30 -65.74 -41.46 92.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.234 -179.6 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 48.2 t -62.6 -46.16 89.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.2 -179.604 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 97.8 mm-40 -65.07 -38.14 89.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.948 -179.774 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 50' ' ' PHE . . . . . 0.617 ' CE2' ' NE2' ' B' ' 54' ' ' GLN . 63.5 t80 -58.55 -47.94 82.55 Favored 'General case' 0 C--N 1.332 -0.191 0 C-N-CA 120.93 -0.308 . . . . 0.0 110.83 -179.42 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 55.9 ttp180 -60.07 -42.99 95.73 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 120.736 -0.385 . . . . 0.0 110.196 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 64.9 tttm -61.91 -39.96 93.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.055 179.267 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 53' ' ' PHE . . . . . . . . . . . . . 40.2 t80 -58.71 -42.7 89.27 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.35 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 54' ' ' GLN . . . . . 0.617 ' NE2' ' CE2' ' B' ' 50' ' ' PHE . 57.0 mt-30 -61.08 -39.34 89.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.132 -179.337 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 68.4 mttm . . . . . 0 C--N 1.33 -0.247 0 C-N-CA 120.638 -0.425 . . . . 0.0 111.03 -179.265 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 85.8 p . . . . . 0 C--O 1.23 0.063 0 CA-C-O 120.426 0.155 . . . . 0.0 111.208 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 24.5 pt-20 -55.95 -35.68 66.95 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 120.412 -0.515 . . . . 0.0 110.227 -179.675 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -65.94 -37.03 84.97 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.373 179.087 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -62.39 -44.69 95.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.09 179.658 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.647 HD12 ' CD ' ' B' ' 49' ' ' GLN . 39.7 mm -66.78 -43.28 89.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.667 179.368 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -60.45 -35.92 76.98 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.861 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 16.1 tm-20 -55.52 -40.07 71.32 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.425 -0.584 . . . . 0.0 109.425 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.22 -35.12 74.72 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.971 179.513 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 89.5 m-85 -79.97 -40.36 28.16 Favored 'General case' 0 C--N 1.333 -0.143 0 C-N-CA 120.557 -0.457 . . . . 0.0 110.227 178.574 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -49.95 -25.11 2.98 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.346 -179.219 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 54.8 t -62.02 -39.57 84.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.276 178.663 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 16.0 m-85 -87.41 -25.74 23.65 Favored 'General case' 0 CA--C 1.53 0.182 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.713 -179.759 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 68.1 t0 -93.87 108.18 19.99 Favored 'General case' 0 CA--C 1.529 0.15 0 N-CA-C 109.169 -0.678 . . . . 0.0 109.169 178.777 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 52.5 mttp -97.55 -51.43 4.14 Favored 'General case' 0 CA--C 1.517 -0.304 0 CA-C-O 121.274 0.559 . . . . 0.0 110.403 -179.329 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . 0.437 ' O ' ' OD1' ' A' ' 95' ' ' ASP . 52.1 t0 -65.35 -17.64 64.68 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.301 -0.863 . . . . 0.0 111.217 -178.089 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 66.25 40.67 94.86 Favored Glycine 0 CA--C 1.521 0.416 0 C-N-CA 120.282 -0.961 . . . . 0.0 111.037 179.268 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 47.9 p-10 -88.05 -5.44 58.49 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 178.773 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 92.62 6.12 64.29 Favored Glycine 0 CA--C 1.529 0.924 0 CA-C-N 115.297 -0.865 . . . . 0.0 111.526 179.749 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.469 ' CD1' ' N ' ' A' ' 99' ' ' TYR . 12.0 m-85 -136.51 159.03 43.03 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-O 120.96 0.409 . . . . 0.0 110.934 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -130.36 148.28 33.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 N-CA-C 107.594 -1.261 . . . . 0.0 107.594 177.793 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 39.2 t -58.77 132.4 53.78 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 119.625 -0.83 . . . . 0.0 109.834 -179.525 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.441 ' HB2' HG23 ' A' ' 136' ' ' VAL . . . -65.02 -36.68 85.16 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.487 -179.679 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -59.29 -40.06 84.93 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.271 0.471 . . . . 0.0 112.271 -177.798 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.684 ' O ' HG23 ' A' ' 108' ' ' VAL . 6.1 pt-20 -69.45 -28.19 65.89 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.202 -0.599 . . . . 0.0 110.424 -179.313 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 28.3 tp -61.3 -48.06 83.1 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.045 -0.724 . . . . 0.0 109.045 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . 0.602 ' CD ' HG11 ' A' ' 121' ' ' VAL . 2.1 tpt85 -56.36 -50.66 70.91 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.712 -0.677 . . . . 0.0 109.637 -179.289 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . 0.511 ' O ' ' N ' ' A' ' 111' ' ' ASN . 76.0 t60 -62.72 -46.23 89.04 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.137 0.494 . . . . 0.0 111.2 179.04 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.684 HG23 ' O ' ' A' ' 104' ' ' GLU . 67.2 t -61.14 -39.61 83.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.378 -0.828 . . . . 0.0 112.304 -178.551 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.61 -17.73 53.19 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.911 -0.316 . . . . 0.0 111.323 -179.273 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . 0.461 HG23 ' O ' ' A' ' 106' ' ' ARG . 54.5 p -108.67 -17.87 13.85 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.789 -0.365 . . . . 0.0 111.633 -178.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . 0.511 ' N ' ' O ' ' A' ' 107' ' ' HIS . 23.0 t-20 -112.61 -32.71 6.36 Favored 'General case' 0 N--CA 1.467 0.422 0 N-CA-C 112.509 0.559 . . . . 0.0 112.509 -179.065 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.462 ' O ' ' O ' ' A' ' 113' ' ' GLY . 88.0 mt -108.9 138.64 44.93 Favored 'General case' 0 N--CA 1.466 0.363 0 N-CA-C 112.025 0.38 . . . . 0.0 112.025 -178.448 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . 0.553 ' O ' ' C ' ' A' ' 114' ' ' GLU . . . 55.4 124.32 0.01 OUTLIER Glycine 0 CA--C 1.523 0.543 0 CA-C-N 115.596 -0.729 . . . . 0.0 111.662 178.902 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . 0.553 ' C ' ' O ' ' A' ' 113' ' ' GLY . 45.8 mt-10 14.04 87.32 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.563 0 O-C-N 123.794 0.349 . . . . 0.0 111.319 179.457 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 62.3 mttp -47.11 134.43 10.77 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.265 -177.709 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.616 HD12 ' HB3' ' A' ' 120' ' ' GLU . 4.2 mm? -90.46 156.07 18.46 Favored 'General case' 0 C--N 1.332 -0.171 0 N-CA-C 108.879 -0.785 . . . . 0.0 108.879 178.743 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 68.6 p -86.02 164.16 17.53 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 179.081 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . 0.42 ' OD1' ' OD2' ' A' ' 122' ' ' ASP . 68.0 t0 -57.5 -42.06 82.01 Favored 'General case' 0 C--N 1.325 -0.487 0 C-N-CA 120.597 -0.441 . . . . 0.0 109.829 -179.748 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 60.3 mp0 -62.26 -40.85 97.57 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.429 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . 0.616 ' HB3' HD12 ' A' ' 116' ' ' LEU . 51.8 mt-10 -70.26 -44.8 67.72 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.924 -0.31 . . . . 0.0 110.978 179.459 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.602 HG11 ' CD ' ' A' ' 106' ' ' ARG . 73.1 t -66.16 -42.88 92.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.674 -179.731 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . 0.42 ' OD2' ' OD1' ' A' ' 118' ' ' ASP . 98.4 m-20 -55.77 -39.39 71.17 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 119.915 -0.714 . . . . 0.0 109.668 -178.329 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 53.4 tp10 -62.79 -37.73 87.84 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.996 -0.547 . . . . 0.0 109.625 178.58 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 97.0 mtp -68.53 -38.98 81.33 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.195 179.662 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . 0.573 HD13 HG12 ' A' ' 121' ' ' VAL . 1.2 mp -58.77 -41.0 81.31 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.154 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.896 -179.444 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 83.4 mtp180 -66.43 -25.55 66.8 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.895 0.378 . . . . 0.0 110.554 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -96.22 -11.95 25.32 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.641 179.518 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 0.491 ' HB1' ' CG2' ' A' ' 136' ' ' VAL . . . -78.85 -74.28 0.29 Allowed 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.52 -179.162 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . 0.526 ' CG ' ' N ' ' A' ' 130' ' ' ILE . 18.3 t70 166.49 -104.17 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.873 0 O-C-N 123.652 0.595 . . . . 0.0 110.856 179.407 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 130' ' ' ILE . . . . . 0.526 ' N ' ' CG ' ' A' ' 129' ' ' ASP . 1.2 mp . . . . . 0 C--N 1.332 -0.172 0 CA-C-N 115.454 -0.794 . . . . 0.0 111.665 -179.606 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.062 0 CA-C-O 119.902 -0.388 . . . . 0.0 113.653 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . 0.421 ' O ' ' OD2' ' A' ' 129' ' ' ASP . 6.9 pt20 -121.36 149.54 42.81 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 117.431 0.615 . . . . 0.0 109.634 178.223 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . 0.491 ' CG2' ' HB1' ' A' ' 128' ' ' ALA . 35.4 t -126.23 135.13 64.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 N-CA-C 112.262 0.467 . . . . 0.0 112.262 -178.5 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -92.09 107.75 19.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.773 -0.649 . . . . 0.0 109.401 178.427 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 43.1 p90 -63.69 -14.71 54.66 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.801 -0.36 . . . . 0.0 111.641 -178.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 53.3 tp10 -59.4 -50.33 74.38 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.13 -0.628 . . . . 0.0 110.056 -179.355 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -60.76 -42.02 96.62 Favored 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 120.87 -0.332 . . . . 0.0 110.611 -179.559 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -59.31 -49.17 78.85 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 178.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 71.4 t -62.27 -43.76 98.36 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 C-N-CA 120.571 -0.452 . . . . 0.0 110.187 179.661 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 10.8 tp-100 -61.58 -42.52 98.98 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 178.716 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 2.2 ttp -62.69 -47.08 85.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.512 -0.767 . . . . 0.0 109.823 178.421 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . 0.493 ' SD ' ' OE1' ' B' ' 49' ' ' GLN . 65.3 mtt . . . . . 0 C--N 1.326 -0.418 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.116 179.822 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 35' ' ' ASP . . . . . 0.532 ' OD1' ' N ' ' B' ' 36' ' ' ALA . 52.3 p-10 . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.503 0.192 . . . . 0.0 110.844 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 36' ' ' ALA . . . . . 0.532 ' N ' ' OD1' ' B' ' 35' ' ' ASP . . . -67.01 141.84 96.9 Favored Pre-proline 0 CA--C 1.534 0.337 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 179.479 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 47.2 Cg_endo -67.68 -26.62 39.13 Favored 'Trans proline' 0 N--CA 1.493 1.477 0 C-N-CA 122.058 1.838 . . . . 0.0 112.673 -179.496 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -63.83 -41.77 97.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.325 -179.484 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 93.0 m -63.39 -49.36 74.08 Favored 'General case' 0 C--N 1.332 -0.155 0 C-N-CA 120.618 -0.433 . . . . 0.0 110.974 -179.291 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -65.11 -43.41 92.08 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 121.315 0.579 . . . . 0.0 109.537 179.311 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 17.7 tpp180 -62.08 -42.3 99.07 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.234 -0.894 . . . . 0.0 110.273 179.156 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -60.52 -40.2 90.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.484 -179.837 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -61.39 -40.78 95.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.345 179.817 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 60.2 t -62.08 -45.93 97.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.539 -179.444 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -61.3 -44.01 97.92 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 120.799 -0.361 . . . . 0.0 111.009 -179.309 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 92.5 mt -63.74 -45.86 96.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.299 179.624 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 47' ' ' GLN . . . . . 0.537 ' NE2' ' O ' ' A' ' 113' ' ' GLY . 93.6 mt-30 -63.69 -38.59 91.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.372 179.252 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 74.7 m -60.15 -41.75 93.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.05 -179.807 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . 0.647 ' CD ' HD12 ' A' ' 85' ' ' ILE . 82.2 mt-30 -63.54 -40.6 97.43 Favored 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 120.608 -0.437 . . . . 0.0 110.496 179.319 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 56.2 t80 -60.19 -48.15 82.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.01 -179.055 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 51' ' ' ARG . . . . . 0.512 ' NH1' ' OE1' ' A' ' 114' ' ' GLU . 91.5 mtm180 -62.83 -41.54 99.37 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.626 -0.43 . . . . 0.0 110.646 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 56.3 mtmt -66.95 -39.33 87.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.161 179.672 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 53' ' ' PHE . . . . . . . . . . . . . 69.9 t80 -59.98 -49.63 76.92 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.895 -179.18 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 20.2 pt20 -72.0 -29.63 64.41 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.856 -0.338 . . . . 0.0 110.686 179.862 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 38.9 ttpt . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.266 179.681 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 1.7 ptt? . . . . . 0 N--CA 1.49 1.531 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 20.5 ttmm -113.13 124.6 52.94 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.889 0.376 . . . . 0.0 110.879 -179.683 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -106.0 171.95 7.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.977 179.391 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 73.3 p -65.32 -165.34 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.77 0.319 . . . . 0.0 110.764 -179.627 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -111.17 154.39 24.42 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.831 -179.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 67.5 m -80.4 -5.74 56.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.339 179.517 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -57.41 -37.68 73.13 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 -179.541 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 22.5 pt-20 -62.5 -32.55 73.48 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.35 -0.841 . . . . 0.0 110.468 179.37 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -63.76 -42.69 97.77 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.489 -179.719 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 4.4 mm -67.69 -39.33 81.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.262 179.248 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -61.62 -37.01 82.4 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.075 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 53.9 tp10 -55.32 -40.8 71.6 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 108.763 -0.829 . . . . 0.0 108.763 -179.694 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -59.53 -33.42 71.36 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.548 179.323 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 74.7 m-85 -81.94 -41.27 21.07 Favored 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 120.658 -0.417 . . . . 0.0 110.552 178.8 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 95.0 mtt-85 -53.17 -23.64 8.87 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.672 -178.621 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 54.6 t -60.43 -38.15 76.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.105 178.755 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 18.9 m-85 -87.36 -19.69 27.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.091 -179.386 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 58.0 t0 -88.82 73.26 8.46 Favored 'General case' 0 N--CA 1.464 0.262 0 N-CA-C 109.915 -0.402 . . . . 0.0 109.915 179.22 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 65.1 pttt -70.69 -22.53 62.46 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.943 0.402 . . . . 0.0 111.396 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -76.72 -25.8 53.96 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.801 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 67.57 30.32 74.8 Favored Glycine 0 CA--C 1.526 0.776 0 N-CA-C 111.044 -0.822 . . . . 0.0 111.044 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . 0.775 HD22 ' H ' ' A' ' 99' ' ' TYR . 0.3 OUTLIER -98.61 -1.69 40.3 Favored 'General case' 0 C--N 1.33 -0.239 0 C-N-CA 120.874 -0.33 . . . . 0.0 110.925 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 94.62 8.1 59.79 Favored Glycine 0 CA--C 1.527 0.795 0 N-CA-C 111.312 -0.715 . . . . 0.0 111.312 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.775 ' H ' HD22 ' A' ' 97' ' ' ASN . 18.3 m-85 -135.52 156.9 48.15 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.983 0.42 . . . . 0.0 111.18 -179.738 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.406 HD13 HG21 ' A' ' 100' ' ' ILE . 0.4 OUTLIER -130.42 145.5 35.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 178.187 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 41.3 t -58.84 134.75 57.17 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 119.69 -0.804 . . . . 0.0 109.763 -179.789 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.715 ' HB2' HG23 ' A' ' 136' ' ' VAL . . . -66.22 -37.5 85.69 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.849 0.357 . . . . 0.0 111.183 -179.854 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -61.01 -42.14 97.88 Favored 'General case' 0 CA--C 1.535 0.38 0 N-CA-C 112.839 0.681 . . . . 0.0 112.839 -178.193 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.645 ' O ' HG23 ' A' ' 108' ' ' VAL . 1.1 pp20? -67.21 -26.36 66.57 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.436 -0.506 . . . . 0.0 110.791 -178.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 48.1 tp -61.96 -45.96 91.4 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.141 -0.688 . . . . 0.0 109.141 179.755 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 8.7 tmm_? -57.73 -50.74 72.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.221 -179.131 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . 0.603 ' CE1' ' ND2' ' A' ' 111' ' ' ASN . 82.8 t60 -61.43 -43.2 99.28 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.041 0.448 . . . . 0.0 110.518 179.787 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.645 HG23 ' O ' ' A' ' 104' ' ' GLU . 67.2 t -62.84 -38.43 81.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 115.543 -0.753 . . . . 0.0 111.508 -179.792 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.63 -18.99 46.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.596 -179.077 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.508 ' CG2' HG21 ' A' ' 121' ' ' VAL . 81.0 p -108.57 -18.94 13.6 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.685 -0.406 . . . . 0.0 111.186 -179.794 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . 0.603 ' ND2' ' CE1' ' A' ' 107' ' ' HIS . 55.9 t30 -107.5 -38.71 5.84 Favored 'General case' 0 CA--C 1.533 0.294 0 N-CA-C 112.68 0.622 . . . . 0.0 112.68 -178.389 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.724 HD11 ' SD ' ' B' ' 34' ' ' MET . 87.8 mt -103.59 139.85 38.33 Favored 'General case' 0 N--CA 1.468 0.435 0 N-CA-C 112.083 0.401 . . . . 0.0 112.083 -178.635 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . 0.573 ' O ' ' C ' ' A' ' 114' ' ' GLU . . . 56.12 128.79 0.01 OUTLIER Glycine 0 CA--C 1.524 0.637 0 CA-C-N 115.419 -0.81 . . . . 0.0 111.558 179.019 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . 0.573 ' C ' ' O ' ' A' ' 113' ' ' GLY . 98.2 mt-10 7.92 93.99 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.737 0 O-C-N 124.111 0.536 . . . . 0.0 110.884 179.542 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -50.57 136.61 20.93 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.145 -0.48 . . . . 0.0 112.12 -176.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.543 HD12 ' HB3' ' A' ' 120' ' ' GLU . 4.5 mm? -92.61 155.78 17.53 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 115.659 -0.7 . . . . 0.0 109.456 178.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 65.6 p -85.44 167.37 15.56 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.848 -0.427 . . . . 0.0 109.848 179.164 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . 0.536 ' OD1' ' N ' ' A' ' 119' ' ' GLU . 40.4 p-10 -58.26 -40.41 81.73 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.582 -0.447 . . . . 0.0 110.546 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . 0.536 ' N ' ' OD1' ' A' ' 118' ' ' ASP . 98.5 mt-10 -61.64 -40.41 94.8 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.293 -179.807 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . 0.543 ' HB3' HD12 ' A' ' 116' ' ' LEU . 26.7 mm-40 -70.6 -40.83 72.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.256 178.553 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.508 HG21 ' CG2' ' A' ' 110' ' ' THR . 63.7 t -65.77 -44.41 93.1 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.21 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.908 179.58 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -59.3 -43.9 92.59 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 120.888 -0.325 . . . . 0.0 110.792 -179.226 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 53.9 tp10 -61.55 -39.11 89.93 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 179.443 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . 0.597 ' SD ' ' CE1' ' B' ' 50' ' ' PHE . 35.0 mmm -65.74 -40.83 92.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.545 179.287 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 1.2 mp -63.61 -40.71 90.07 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.302 -179.361 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -63.31 -27.73 69.53 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.085 0.469 . . . . 0.0 109.955 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -97.12 -21.66 17.21 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.968 179.174 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.526 ' O ' ' CB ' ' A' ' 129' ' ' ASP . . . -63.33 -44.61 94.42 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.583 -0.281 . . . . 0.0 111.749 -179.395 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . 0.526 ' CB ' ' O ' ' A' ' 128' ' ' ALA . 11.3 t70 142.6 -97.13 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.968 0 O-C-N 124.165 0.915 . . . . 0.0 110.809 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . 0.722 ' O ' HG22 ' A' ' 130' ' ' ILE . 65.9 mt 40.46 44.33 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 114.941 -1.027 . . . . 0.0 111.62 -178.889 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -60.57 -40.98 93.65 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 108.086 -1.079 . . . . 0.0 108.086 178.627 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 170.66 20.47 0.02 OUTLIER Glycine 0 CA--C 1.523 0.573 0 CA-C-N 114.682 -1.144 . . . . 0.0 110.242 179.603 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -108.29 -26.61 10.45 Favored 'General case' 0 CA--C 1.528 0.131 0 C-N-CA 121.087 -0.245 . . . . 0.0 111.559 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 85.46 9.64 78.67 Favored Glycine 0 CA--C 1.529 0.963 0 C-N-CA 120.864 -0.684 . . . . 0.0 111.939 179.645 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -124.56 155.64 38.7 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-O 120.946 0.403 . . . . 0.0 110.633 179.466 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . 0.715 HG23 ' HB2' ' A' ' 102' ' ' ALA . 25.1 t -126.78 135.61 63.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.744 -179.341 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 7.3 p-10 -95.42 109.03 21.26 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.831 -0.622 . . . . 0.0 109.351 178.733 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 35.6 p90 -58.53 -11.72 3.26 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.507 -0.477 . . . . 0.0 111.453 -178.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -59.07 -50.0 75.74 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 119.992 -0.683 . . . . 0.0 109.766 -179.748 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 52.5 tp10 -59.45 -41.94 90.79 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 116.689 -0.232 . . . . 0.0 110.929 -179.201 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -60.33 -41.14 92.95 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.271 -0.572 . . . . 0.0 109.731 179.208 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 51.8 t -62.92 -42.67 97.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.495 178.767 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . 0.443 ' O ' ' N ' ' A' ' 147' ' ' ALA . 24.2 tt0 -59.89 -44.13 94.4 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 120.436 -0.506 . . . . 0.0 109.878 -179.618 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 73.6 mtm -60.11 -43.57 95.51 Favored 'General case' 0 C--N 1.332 -0.164 0 N-CA-C 108.359 -0.978 . . . . 0.0 108.359 178.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 1.1 mpp? -68.04 -18.76 64.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.472 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 67.7 p -121.57 19.14 11.22 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.666 -0.243 . . . . 0.0 111.146 -179.334 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . 0.443 ' N ' ' O ' ' A' ' 143' ' ' GLN . . . -125.34 49.49 1.89 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.537 -0.302 . . . . 0.0 110.84 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 8.1 tptp . . . . . 0 C--O 1.22 -0.455 0 CA-C-O 117.961 -1.019 . . . . 0.0 110.576 179.9 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 30' ' ' PHE . . . . . 0.585 ' N ' ' CD1' ' B' ' 30' ' ' PHE . 0.1 OUTLIER . . . . . 0 N--CA 1.49 1.555 0 N-CA-C 109.193 -0.669 . . . . 0.0 109.193 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 31.0 t70 54.78 48.69 19.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.904 179.689 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 1.3 pt -127.61 164.51 28.61 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.174 0 CA-C-N 116.282 -0.417 . . . . 0.0 109.934 179.783 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -80.33 84.13 6.04 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 120.549 -0.46 . . . . 0.0 110.264 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 34' ' ' MET . . . . . 0.724 ' SD ' HD11 ' A' ' 112' ' ' LEU . 21.7 mmt -61.76 -39.67 92.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.154 179.715 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -62.1 -37.61 85.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.493 -0.776 . . . . 0.0 111.392 -179.583 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -59.3 119.59 40.49 Favored Pre-proline 0 CA--C 1.54 0.566 0 C-N-CA 120.788 -0.365 . . . . 0.0 110.743 -178.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_exo -52.99 -30.28 48.01 Favored 'Trans proline' 0 N--CA 1.499 1.814 0 C-N-CA 121.925 1.75 . . . . 0.0 112.517 178.826 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 53.1 tt0 -59.43 -43.12 93.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.768 -179.224 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 96.8 m -62.02 -45.71 92.38 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.569 -0.452 . . . . 0.0 110.298 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -63.56 -41.61 98.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.459 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 23.9 mmt85 -64.99 -39.49 93.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.469 179.794 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -61.35 -40.51 94.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.488 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -61.61 -41.0 96.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.294 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 60.5 t -63.31 -44.19 98.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.417 -179.72 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -60.39 -45.05 94.96 Favored 'General case' 0 C--N 1.331 -0.199 0 C-N-CA 120.865 -0.334 . . . . 0.0 111.211 -178.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 97.7 mt -64.07 -46.67 93.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-O 121.081 0.467 . . . . 0.0 110.133 179.575 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 47' ' ' GLN . . . . . 0.447 ' NE2' ' O ' ' A' ' 113' ' ' GLY . 95.9 mt-30 -63.99 -42.01 97.33 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.663 -0.699 . . . . 0.0 111.084 -179.591 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 48.1 t -61.6 -45.92 92.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.122 0.487 . . . . 0.0 109.697 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 72.1 mm-40 -65.39 -39.71 92.57 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.418 179.284 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 50' ' ' PHE . . . . . 0.597 ' CE1' ' SD ' ' A' ' 124' ' ' MET . 46.7 t80 -60.09 -47.77 84.51 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.718 179.757 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 13.8 tpp85 -59.89 -43.7 94.64 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.103 -179.765 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 1.2 mptp? -66.0 -36.41 83.21 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.869 0.366 . . . . 0.0 110.462 179.513 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 53' ' ' PHE . . . . . . . . . . . . . 93.8 t80 -59.32 -46.59 88.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.382 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 30.2 mm100 -61.62 -40.5 95.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.601 -179.584 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -62.74 -39.99 95.81 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.908 -0.317 . . . . 0.0 110.869 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 27.3 mtpp -62.66 -39.82 95.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.59 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -61.08 -44.39 97.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.233 179.824 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -80.85 -8.33 59.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.699 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . -65.55 149.86 51.67 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 111.083 -0.807 . . . . 0.0 111.083 -179.657 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 66.2 m -127.84 150.81 49.67 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.76 0.314 . . . . 0.0 110.54 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 25.5 pt20 -62.92 -21.56 66.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.65 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 13.7 p . . . . . 0 C--O 1.22 -0.481 0 CA-C-O 117.973 -1.013 . . . . 0.0 110.566 179.992 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 26.8 ttt . . . . . 0 N--CA 1.489 1.512 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 60.3 mtpt -89.46 -4.31 58.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.635 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -60.71 -62.21 2.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.474 . . . . 0.0 109.862 179.767 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.423 ' O ' ' CB ' ' A' ' 80' ' ' ASP . 27.1 p 44.51 -148.53 0.07 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.37 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.423 ' CB ' ' O ' ' A' ' 79' ' ' THR . 6.2 t0 77.09 126.93 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.452 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 69.9 m -80.93 -5.46 57.47 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.828 -0.623 . . . . 0.0 110.942 -179.786 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -59.4 -37.89 79.18 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.989 -0.745 . . . . 0.0 108.989 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 2.5 pp20? -62.97 -30.44 71.59 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.189 -0.914 . . . . 0.0 110.359 179.38 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 53.4 tp10 -70.68 -41.58 71.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.016 -179.739 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 38.9 mm -68.42 -46.55 80.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 N-CA-C 112.374 0.509 . . . . 0.0 112.374 -179.177 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 20.5 ptp180 -62.99 -27.47 69.43 Favored 'General case' 0 CA--C 1.521 -0.159 0 C-N-CA 120.482 -0.487 . . . . 0.0 110.585 -179.358 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -59.4 -40.73 87.54 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 179.51 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.18 -32.71 72.45 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.934 179.539 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 84.4 m-85 -81.38 -41.58 21.75 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 120.472 -0.491 . . . . 0.0 110.447 178.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -46.31 -28.46 1.31 Allowed 'General case' 0 N--CA 1.465 0.292 0 CA-C-O 120.853 0.359 . . . . 0.0 110.404 -179.72 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 55.2 t -61.21 -39.03 81.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.952 179.609 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 9.0 m-85 -89.94 -24.71 21.22 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.994 -179.232 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.447 ' OD1' ' O ' ' A' ' 99' ' ' TYR . 38.5 t70 -88.22 67.37 8.75 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.973 0.416 . . . . 0.0 110.121 178.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 65.3 pttt -73.51 -21.66 60.34 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.475 179.81 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -73.56 -25.85 60.57 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.518 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 69.18 24.8 75.85 Favored Glycine 0 CA--C 1.526 0.775 0 N-CA-C 111.139 -0.784 . . . . 0.0 111.139 179.804 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . 0.785 HD22 ' H ' ' A' ' 99' ' ' TYR . 0.3 OUTLIER -93.21 -6.81 46.88 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 121.018 -0.273 . . . . 0.0 110.833 -179.852 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . 0.521 ' O ' ' ND2' ' A' ' 137' ' ' ASN . . . 95.25 10.4 57.2 Favored Glycine 0 CA--C 1.53 0.986 0 N-CA-C 111.162 -0.775 . . . . 0.0 111.162 -179.715 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.785 ' H ' HD22 ' A' ' 97' ' ' ASN . 15.2 m-85 -135.13 155.7 50.27 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.361 0.6 . . . . 0.0 112.239 -179.251 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.409 HD13 HG21 ' A' ' 100' ' ' ILE . 0.2 OUTLIER -129.75 143.47 41.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 N-CA-C 107.457 -1.312 . . . . 0.0 107.457 177.427 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 73.4 m -60.06 132.44 53.95 Favored 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 119.627 -0.829 . . . . 0.0 109.897 -179.326 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.697 ' HB2' HG23 ' A' ' 136' ' ' VAL . . . -62.32 -39.39 92.91 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 121.061 0.457 . . . . 0.0 110.332 179.812 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -58.31 -42.45 86.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.633 -179.441 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 -61.2 -41.32 96.63 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.93 178.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 2.6 tt -59.42 -48.71 80.62 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.696 -0.401 . . . . 0.0 110.988 -178.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 2.9 tmt_? -57.74 -50.06 74.49 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.289 -0.564 . . . . 0.0 110.501 -179.227 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . 0.516 ' O ' ' N ' ' A' ' 111' ' ' ASN . 86.2 t60 -60.96 -47.56 85.88 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.017 0.437 . . . . 0.0 110.827 -179.76 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 50.1 t -62.03 -37.62 78.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 115.597 -0.729 . . . . 0.0 111.202 179.809 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . 0.407 ' CE ' HG21 ' B' ' 46' ' ' ILE . 0.0 OUTLIER -72.5 -29.97 64.1 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.616 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.604 ' CG2' HG21 ' A' ' 121' ' ' VAL . 69.4 p -104.3 -16.52 15.14 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.559 -0.456 . . . . 0.0 112.229 -178.496 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . 0.516 ' N ' ' O ' ' A' ' 107' ' ' HIS . 19.1 t-20 -104.11 -45.6 4.67 Favored 'General case' 0 N--CA 1.467 0.376 0 N-CA-C 112.755 0.65 . . . . 0.0 112.755 -178.401 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.455 ' O ' ' O ' ' A' ' 113' ' ' GLY . 81.1 mt -100.82 141.49 33.63 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 120.919 0.39 . . . . 0.0 111.573 -178.471 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . 0.56 ' C ' HE22 ' B' ' 47' ' ' GLN . . . 58.61 129.2 0.01 OUTLIER Glycine 0 CA--C 1.523 0.537 0 N-CA-C 110.867 -0.893 . . . . 0.0 110.867 179.391 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . 0.554 ' C ' ' O ' ' A' ' 113' ' ' GLY . 78.7 mm-40 8.82 87.38 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.629 0 O-C-N 124.195 0.585 . . . . 0.0 111.355 179.687 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 52.5 mtpt -45.04 129.5 7.52 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.597 -177.646 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.676 HD12 ' HB3' ' A' ' 120' ' ' GLU . 4.3 mm? -87.06 157.87 19.33 Favored 'General case' 0 N--CA 1.462 0.169 0 N-CA-C 108.486 -0.931 . . . . 0.0 108.486 178.249 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . 0.445 ' OG1' ' OE1' ' A' ' 120' ' ' GLU . 73.2 p -94.27 171.95 8.51 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 120.454 -0.498 . . . . 0.0 110.199 179.36 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 68.0 t0 -58.89 -41.82 88.06 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.167 -179.257 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -61.87 -41.01 97.33 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.85 -0.34 . . . . 0.0 110.575 -179.616 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . 0.676 ' HB3' HD12 ' A' ' 116' ' ' LEU . 1.0 OUTLIER -69.78 -41.42 75.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.977 0.418 . . . . 0.0 110.613 178.884 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.604 HG21 ' CG2' ' A' ' 110' ' ' THR . 62.6 t -65.65 -42.72 93.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.884 179.858 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -59.02 -40.81 86.1 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.297 -0.561 . . . . 0.0 110.228 -178.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 54.1 tp10 -63.44 -38.77 92.42 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.141 -0.688 . . . . 0.0 109.141 178.562 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . 0.604 ' SD ' ' CE1' ' B' ' 50' ' ' PHE . 46.5 mmm -67.54 -39.21 85.0 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.351 -0.841 . . . . 0.0 110.59 179.197 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . 0.6 HG13 HD11 ' A' ' 130' ' ' ILE . 1.1 mp -62.05 -40.69 88.29 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.223 0 CA-C-N 116.042 -0.527 . . . . 0.0 111.225 -179.332 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 83.8 mtp180 -63.58 -26.1 68.54 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.022 0.439 . . . . 0.0 110.085 -179.724 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -97.01 -7.6 32.55 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.887 179.327 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.597 ' HB1' HG21 ' A' ' 136' ' ' VAL . . . -86.83 -79.24 0.27 Allowed 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.526 -178.885 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . 0.474 ' CB ' ' O ' ' A' ' 128' ' ' ALA . 1.5 m-20 159.47 -88.98 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.797 0 N-CA-C 111.679 0.251 . . . . 0.0 111.679 179.403 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . 0.6 HD11 HG13 ' A' ' 125' ' ' ILE . 67.6 mt 78.74 -73.85 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.371 0 O-C-N 124.237 0.961 . . . . 0.0 109.899 -177.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 52.49 41.69 31.02 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.68 179.484 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 71.98 -48.43 1.09 Allowed Glycine 0 CA--C 1.526 0.747 0 N-CA-C 111.224 -0.75 . . . . 0.0 111.224 179.683 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -57.62 -38.71 75.41 Favored 'General case' 0 C--N 1.333 -0.133 0 C-N-CA 121.083 -0.247 . . . . 0.0 110.604 -178.634 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 89.62 39.05 6.37 Favored Glycine 0 CA--C 1.525 0.661 0 C-N-CA 120.468 -0.872 . . . . 0.0 112.38 178.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 6.3 mm100 -124.52 144.01 50.35 Favored 'General case' 0 N--CA 1.463 0.217 0 C-N-CA 120.392 -0.523 . . . . 0.0 110.365 178.581 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . 0.697 HG23 ' HB2' ' A' ' 102' ' ' ALA . 38.3 t -130.19 134.88 61.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.626 -0.716 . . . . 0.0 112.161 -179.402 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . 0.521 ' ND2' ' O ' ' A' ' 98' ' ' GLY . 2.0 t-20 -92.96 110.92 22.39 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 108.353 -0.98 . . . . 0.0 108.353 178.2 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 47.0 p90 -65.47 -8.92 21.62 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 112.441 0.534 . . . . 0.0 112.441 -178.238 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 15.9 tm-20 -60.59 -50.43 73.57 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 119.889 -0.724 . . . . 0.0 111.3 -179.004 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . 0.422 ' OE2' ' O ' ' A' ' 128' ' ' ALA . 24.9 pt-20 -62.52 -35.03 78.1 Favored 'General case' 0 CA--C 1.52 -0.198 0 C-N-CA 120.469 -0.492 . . . . 0.0 110.81 -179.145 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . 0.542 ' O ' ' SD ' ' A' ' 145' ' ' MET . 1.1 m-85 -62.83 -43.92 97.51 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 178.727 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 51.9 t -62.06 -40.8 88.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 C-N-CA 120.288 -0.565 . . . . 0.0 109.652 178.508 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . 0.412 ' O ' ' HB3' ' A' ' 147' ' ' ALA . 71.6 tp60 -59.98 -42.14 93.52 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 178.843 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 66.9 mtp -61.45 -45.76 92.94 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-N 115.943 -0.572 . . . . 0.0 109.989 179.351 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . 0.542 ' SD ' ' O ' ' A' ' 141' ' ' PHE . 0.0 OUTLIER -73.1 -19.84 61.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.681 -0.69 . . . . 0.0 111.599 -179.41 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 67.5 p -109.49 19.26 19.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.953 0.406 . . . . 0.0 110.281 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . 0.412 ' HB3' ' O ' ' A' ' 143' ' ' GLN . . . -166.3 -162.1 0.51 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.879 -0.6 . . . . 0.0 109.93 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . 0.401 ' OXT' ' NZ ' ' B' ' 56' ' ' LYS . 30.5 mmtt . . . . . 0 C--O 1.221 -0.415 0 CA-C-O 117.971 -1.014 . . . . 0.0 110.526 179.793 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 30' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.489 1.512 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 53.1 t0 58.0 42.51 22.6 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.178 0.513 . . . . 0.0 109.749 -179.344 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 72.1 mt -124.01 129.81 74.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.332 -0.849 . . . . 0.0 111.038 -179.629 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 33' ' ' ASP . . . . . 0.441 ' O ' ' OD1' ' B' ' 33' ' ' ASP . 46.1 p-10 -73.36 109.12 6.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.743 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 34' ' ' MET . . . . . . . . . . . . . 66.4 mtt -91.25 -1.3 57.71 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.637 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 55.3 p30 -83.38 1.48 41.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.1 -179.577 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -104.45 144.46 28.76 Favored Pre-proline 0 CA--C 1.533 0.314 0 C-N-CA 120.927 -0.309 . . . . 0.0 110.216 179.753 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -69.95 -27.93 24.94 Favored 'Trans proline' 0 N--CA 1.491 1.356 0 C-N-CA 122.333 2.022 . . . . 0.0 112.92 -179.826 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -63.11 -41.84 99.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.194 -179.32 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 94.2 m -63.91 -46.1 86.33 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.71 -0.396 . . . . 0.0 110.517 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -63.27 -42.83 99.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.425 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 43.5 mmm-85 -63.04 -40.01 96.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.4 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -61.61 -41.58 97.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.488 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -62.36 -41.54 98.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.443 179.818 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 56.3 t -62.83 -43.97 99.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.634 -179.551 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -60.39 -44.94 95.18 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.742 -0.383 . . . . 0.0 111.295 -178.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 46' ' ' ILE . . . . . 0.407 HG21 ' CE ' ' A' ' 109' ' ' MET . 97.1 mt -64.44 -47.21 90.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 120.944 0.402 . . . . 0.0 110.874 179.797 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 47' ' ' GLN . . . . . 0.56 HE22 ' C ' ' A' ' 113' ' ' GLY . 27.3 mt-30 -64.72 -40.8 95.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.96 -179.478 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 48.1 t -60.83 -46.27 91.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.148 -179.483 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 69.7 tp60 -66.37 -37.94 86.45 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 179.4 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 50' ' ' PHE . . . . . 0.604 ' CE1' ' SD ' ' A' ' 124' ' ' MET . 48.9 t80 -59.74 -42.88 94.16 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.8 179.708 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 44.5 ttm180 -57.29 -40.1 77.11 Favored 'General case' 0 C--N 1.324 -0.523 0 C-N-CA 120.489 -0.484 . . . . 0.0 110.015 -179.753 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 64.3 mmtt -62.02 -36.5 81.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.14 179.401 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 53' ' ' PHE . . . . . . . . . . . . . 51.8 t80 -57.65 -42.26 83.12 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.34 -179.656 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 90.6 mt-30 -61.27 -39.9 92.12 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.655 -179.659 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 63.1 mttp -61.88 -39.51 92.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.641 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . 0.401 ' NZ ' ' OXT' ' A' ' 148' ' ' LYS . 59.6 mtpt -61.83 -39.96 93.61 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.371 -179.844 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 13.1 mttm -69.66 -36.73 76.31 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.917 0.389 . . . . 0.0 110.378 179.085 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -78.06 -1.43 32.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.624 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . -76.76 -177.48 44.88 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.836 -0.905 . . . . 0.0 110.836 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 98.0 p -142.59 161.98 36.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.851 0.358 . . . . 0.0 110.718 -179.555 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -62.54 -39.96 95.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.669 -179.679 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 40.6 m . . . . . 0 C--O 1.221 -0.426 0 CA-C-O 117.985 -1.007 . . . . 0.0 110.522 -179.939 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 1.2 tpt . . . . . 0 N--CA 1.491 1.578 0 N-CA-C 109.187 -0.671 . . . . 0.0 109.187 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 38.9 ttpt -145.12 144.34 30.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.484 -179.828 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -54.72 158.49 2.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.057 0.456 . . . . 0.0 110.861 -179.416 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -179.23 52.09 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.004 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 24.5 m-20 -137.52 107.01 6.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.009 -179.502 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 66.5 m -81.97 -8.72 59.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.839 179.644 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 23.4 pt-20 -55.17 -32.82 62.46 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 120.23 -0.588 . . . . 0.0 109.576 -179.577 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -66.46 -34.22 77.45 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.325 -0.852 . . . . 0.0 110.266 179.459 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 53.4 tp10 -63.32 -45.61 90.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.251 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 4.7 mm -67.02 -41.04 86.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.602 179.725 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 79.3 mtp180 -60.54 -35.67 76.58 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.996 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 16.0 tm-20 -55.45 -41.18 72.54 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.19 -35.09 74.59 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.642 179.231 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 72.9 m-85 -77.78 -41.86 35.92 Favored 'General case' 0 C--N 1.333 -0.14 0 C-N-CA 120.739 -0.384 . . . . 0.0 110.314 178.337 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -49.08 -27.0 3.01 Favored 'General case' 0 N--CA 1.462 0.129 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.493 -178.748 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 54.5 t -61.17 -39.62 83.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 N-CA-C 109.913 -0.403 . . . . 0.0 109.913 178.596 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -87.11 -26.92 23.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.043 -179.656 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.421 ' OD1' ' O ' ' A' ' 99' ' ' TYR . 46.1 t0 -87.17 71.49 10.09 Favored 'General case' 0 N--CA 1.464 0.225 0 N-CA-C 109.938 -0.393 . . . . 0.0 109.938 179.387 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 23.4 pttp -70.63 -22.19 62.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.925 0.393 . . . . 0.0 111.46 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -76.1 -26.12 56.11 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.692 179.801 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 66.55 29.68 75.2 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.708 -0.957 . . . . 0.0 110.708 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -97.55 -1.17 44.52 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.669 0.271 . . . . 0.0 110.801 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 94.38 7.62 60.46 Favored Glycine 0 CA--C 1.529 0.925 0 N-CA-C 111.303 -0.719 . . . . 0.0 111.303 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.454 ' CD1' ' N ' ' A' ' 99' ' ' TYR . 15.3 m-85 -135.23 157.55 46.64 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-O 121.191 0.519 . . . . 0.0 111.646 -179.442 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.447 HD11 HD13 ' A' ' 105' ' ' LEU . 0.2 OUTLIER -131.46 146.94 32.84 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.142 0 N-CA-C 107.949 -1.13 . . . . 0.0 107.949 178.015 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 67.5 m -59.35 133.59 56.24 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 119.622 -0.831 . . . . 0.0 109.643 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.646 ' HB2' HG23 ' A' ' 136' ' ' VAL . . . -64.47 -39.12 93.21 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.034 0.445 . . . . 0.0 111.146 -179.751 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -60.08 -42.06 93.78 Favored 'General case' 0 CA--C 1.534 0.328 0 N-CA-C 112.978 0.733 . . . . 0.0 112.978 -177.66 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.711 ' O ' HG23 ' A' ' 108' ' ' VAL . 1.0 OUTLIER -68.62 -27.7 66.26 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.38 -0.528 . . . . 0.0 111.047 -179.067 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.447 HD13 HD11 ' A' ' 100' ' ' ILE . 20.7 tp -62.46 -48.16 80.86 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.43 ' C ' ' CD ' ' A' ' 106' ' ' ARG . 0.0 OUTLIER -57.9 -51.36 69.95 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.391 -179.367 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . 0.615 ' CE1' ' ND2' ' A' ' 111' ' ' ASN . 82.3 t60 -60.25 -45.33 93.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.234 0.54 . . . . 0.0 110.535 179.361 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.711 HG23 ' O ' ' A' ' 104' ' ' GLU . 58.0 t -61.86 -38.24 80.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 115.301 -0.863 . . . . 0.0 111.285 -179.844 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -76.85 -27.51 55.12 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.98 -179.597 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.504 ' CG2' HG21 ' A' ' 121' ' ' VAL . 81.2 p -104.47 -16.48 15.06 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 120.648 -0.421 . . . . 0.0 111.808 -178.878 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . 0.615 ' ND2' ' CE1' ' A' ' 107' ' ' HIS . 58.8 t30 -108.86 -38.83 5.5 Favored 'General case' 0 N--CA 1.464 0.272 0 N-CA-C 112.538 0.57 . . . . 0.0 112.538 -178.706 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.465 ' O ' ' O ' ' A' ' 113' ' ' GLY . 68.4 mt -106.01 140.35 39.14 Favored 'General case' 0 N--CA 1.466 0.343 0 C-N-CA 120.899 -0.321 . . . . 0.0 111.416 -178.55 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . 0.575 ' C ' HE22 ' B' ' 47' ' ' GLN . . . 58.37 125.39 0.01 OUTLIER Glycine 0 CA--C 1.523 0.537 0 N-CA-C 110.866 -0.894 . . . . 0.0 110.866 179.288 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . 0.552 ' C ' ' O ' ' A' ' 113' ' ' GLY . 98.8 mt-10 11.84 87.33 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.664 0 O-C-N 124.177 0.575 . . . . 0.0 111.037 179.643 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -46.27 130.94 10.62 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 120.994 0.426 . . . . 0.0 111.928 -177.375 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.68 HD12 ' HB3' ' A' ' 120' ' ' GLU . 4.3 mm? -89.0 157.09 18.49 Favored 'General case' 0 N--CA 1.462 0.17 0 N-CA-C 108.661 -0.866 . . . . 0.0 108.661 178.332 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . 0.536 ' O ' HG23 ' A' ' 121' ' ' VAL . 72.8 p -92.93 171.58 8.87 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.68 -0.408 . . . . 0.0 110.227 179.486 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -59.3 -41.11 88.24 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.846 -0.342 . . . . 0.0 110.981 -179.003 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -62.01 -41.43 98.06 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.805 -0.358 . . . . 0.0 110.532 -179.688 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . 0.68 ' HB3' HD12 ' A' ' 116' ' ' LEU . 0.8 OUTLIER -69.35 -40.71 77.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.96 0.41 . . . . 0.0 110.117 178.56 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.536 HG23 ' O ' ' A' ' 117' ' ' THR . 62.3 t -63.77 -45.16 98.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.94 179.739 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -58.3 -40.67 82.62 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.344 -0.542 . . . . 0.0 110.437 -178.658 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 15.4 tm-20 -64.03 -38.57 91.55 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 178.43 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . 0.592 ' SD ' ' CE1' ' B' ' 50' ' ' PHE . 48.7 mmm -67.66 -39.98 84.52 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.306 -0.861 . . . . 0.0 110.774 179.536 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 1.2 mp -63.01 -39.53 85.55 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.118 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.785 -179.365 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 13.6 tpp85 -62.89 -28.86 70.34 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.408 179.753 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -96.02 -10.3 28.87 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.987 -0.552 . . . . 0.0 111.227 179.788 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.582 ' HB1' HG21 ' A' ' 136' ' ' VAL . . . -79.46 -68.01 0.7 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.562 -178.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . 0.471 ' CB ' ' O ' ' A' ' 128' ' ' ALA . 9.5 m-20 156.83 -94.63 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.78 0 CA-C-O 120.961 0.41 . . . . 0.0 111.341 179.467 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . 0.717 ' O ' HG22 ' A' ' 130' ' ' ILE . 95.9 mt 60.28 55.62 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.768 -178.289 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 65.0 t0 -83.31 69.4 9.96 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 108.638 -0.875 . . . . 0.0 108.638 178.597 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 45.47 28.39 2.3 Favored Glycine 0 CA--C 1.526 0.725 0 N-CA-C 110.091 -1.204 . . . . 0.0 110.091 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -129.06 -21.87 3.24 Favored 'General case' 0 N--CA 1.462 0.153 0 CA-C-O 120.635 0.255 . . . . 0.0 111.368 -179.38 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 74.51 27.43 65.5 Favored Glycine 0 CA--C 1.532 1.108 0 C-N-CA 121.104 -0.57 . . . . 0.0 112.608 179.255 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 12.6 pt20 -124.64 149.52 47.02 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-N 117.26 0.53 . . . . 0.0 110.789 179.246 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . 0.646 HG23 ' HB2' ' A' ' 102' ' ' ALA . 25.3 t -132.53 135.34 57.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.671 -0.695 . . . . 0.0 112.166 -179.244 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . 0.443 ' OD1' ' O ' ' A' ' 137' ' ' ASN . 7.5 p30 -92.96 110.75 22.22 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.703 -0.68 . . . . 0.0 109.555 178.468 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 41.9 p90 -62.92 -12.08 22.84 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.617 -0.433 . . . . 0.0 111.681 -178.754 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -58.71 -49.63 76.88 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.154 -0.619 . . . . 0.0 110.269 -179.377 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -61.32 -39.93 92.35 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 120.929 -0.308 . . . . 0.0 111.155 -179.348 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -61.81 -42.53 99.13 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.446 -0.501 . . . . 0.0 109.994 179.095 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 54.7 t -64.65 -40.78 90.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 C-N-CA 120.616 -0.434 . . . . 0.0 110.18 178.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 11.0 tp-100 -59.93 -41.49 91.9 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 108.95 -0.759 . . . . 0.0 108.95 179.13 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 69.7 mtp -59.51 -43.15 93.45 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 108.658 -0.867 . . . . 0.0 108.658 179.325 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 68.4 mtt -70.89 -19.31 62.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.491 -0.777 . . . . 0.0 111.797 -179.715 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 77.6 p -118.52 18.44 13.54 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-O 120.507 0.194 . . . . 0.0 110.817 -179.666 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -129.88 41.76 3.38 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.464 -0.334 . . . . 0.0 110.667 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 7.1 tptm . . . . . 0 C--O 1.22 -0.452 0 CA-C-O 118.028 -0.987 . . . . 0.0 110.449 179.863 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 30' ' ' PHE . . . . . 0.512 ' N ' ' CD1' ' B' ' 30' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.505 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -100.55 64.57 1.14 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.848 -179.749 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . 0.413 HG21 HD13 ' B' ' 32' ' ' ILE . 2.5 pt -130.69 165.34 31.28 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-N 116.475 -0.329 . . . . 0.0 110.311 179.799 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 66.5 m-20 -83.73 80.45 9.13 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.625 -0.43 . . . . 0.0 110.128 179.558 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 34' ' ' MET . . . . . 0.442 ' O ' ' OE2' ' B' ' 40' ' ' GLU . 54.9 mtt -63.2 -35.94 81.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.923 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -60.29 -37.51 80.74 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.664 -179.239 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.92 121.27 60.76 Favored Pre-proline 0 CA--C 1.543 0.687 0 C-N-CA 120.66 -0.416 . . . . 0.0 110.168 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 76.5 Cg_exo -51.64 -35.19 56.27 Favored 'Trans proline' 0 N--CA 1.501 1.962 0 C-N-CA 122.012 1.808 . . . . 0.0 112.962 179.29 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 24.4 pt-20 -55.3 -34.8 64.46 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.317 -178.753 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 97.0 m -61.75 -48.43 80.71 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.738 -0.385 . . . . 0.0 110.747 -179.618 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . 0.442 ' OE2' ' O ' ' B' ' 34' ' ' MET . 25.7 mp0 -64.54 -40.36 95.45 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.236 0.541 . . . . 0.0 109.991 179.172 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 29.7 tpt180 -61.04 -45.45 94.72 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.393 -0.821 . . . . 0.0 110.182 179.592 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -61.46 -39.87 92.45 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.177 179.675 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -61.43 -40.8 95.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.2 179.739 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 58.1 t -62.4 -45.28 99.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.727 -179.564 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 45' ' ' ALA . . . . . 0.453 ' O ' ' OE1' ' B' ' 49' ' ' GLN . . . -60.74 -44.41 96.72 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.783 -0.367 . . . . 0.0 111.021 -179.108 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 90.6 mt -62.69 -46.13 97.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-O 120.88 0.371 . . . . 0.0 110.629 179.709 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 47' ' ' GLN . . . . . 0.575 HE22 ' C ' ' A' ' 113' ' ' GLY . 27.8 mt-30 -65.26 -40.23 93.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.947 179.783 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 48.3 t -60.52 -47.38 86.42 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.551 -179.385 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . 0.453 ' OE1' ' O ' ' B' ' 45' ' ' ALA . 7.1 mp0 -65.91 -36.43 83.38 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.161 178.832 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 50' ' ' PHE . . . . . 0.626 ' CE2' ' NE2' ' B' ' 54' ' ' GLN . 34.1 t80 -59.82 -46.77 88.21 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.978 179.76 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 5.3 mtp180 -60.69 -38.09 83.82 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 120.74 -0.384 . . . . 0.0 110.245 -179.64 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -60.98 -38.05 84.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.896 0.379 . . . . 0.0 110.31 179.512 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 53' ' ' PHE . . . . . . . . . . . . . 68.0 t80 -58.81 -45.43 89.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.148 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 54' ' ' GLN . . . . . 0.626 ' NE2' ' CE2' ' B' ' 50' ' ' PHE . 76.4 mt-30 -61.78 -39.92 93.39 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.949 -179.66 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 59.5 mtpt -61.58 -39.2 90.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.86 -179.59 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 5.1 mptp? -57.76 -51.11 70.92 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.525 -0.47 . . . . 0.0 110.04 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 57' ' ' LYS . . . . . 0.535 ' O ' ' N ' ' B' ' 60' ' ' SER . 25.6 mmtp -65.18 -40.41 94.21 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.927 0.394 . . . . 0.0 110.163 179.27 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . 40.95 48.43 2.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.678 179.811 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 59' ' ' GLY . . . . . 0.476 ' O ' ' CB ' ' B' ' 60' ' ' SER . . . 78.29 16.28 79.79 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 111.073 -0.811 . . . . 0.0 111.073 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 60' ' ' SER . . . . . 0.535 ' N ' ' O ' ' B' ' 57' ' ' LYS . 0.7 OUTLIER 80.43 -160.06 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.786 0.326 . . . . 0.0 110.565 -179.867 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 16.5 pt20 -65.03 150.39 48.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.667 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 58.3 m . . . . . 0 C--O 1.221 -0.442 0 CA-C-O 118.014 -0.993 . . . . 0.0 110.57 -179.984 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 16.1 mmt . . . . . 0 N--CA 1.489 1.512 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 64.0 mttp 54.54 -157.37 0.21 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.384 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 47.0 t0 -90.39 56.87 3.49 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.798 -0.361 . . . . 0.0 110.527 179.777 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 11.1 p 46.2 -155.19 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.256 -179.66 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 39.0 t0 -113.84 165.94 12.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.514 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 68.3 m -79.8 -6.76 57.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.311 179.755 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.515 ' OE2' ' NH2' ' A' ' 86' ' ' ARG . 88.6 tt0 -57.01 -39.66 75.14 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 179.802 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 3.0 pp20? -62.1 -34.84 77.07 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.389 -0.823 . . . . 0.0 110.501 179.325 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -63.92 -43.42 95.97 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.539 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 4.9 mm -65.22 -41.3 91.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.037 179.769 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.515 ' NH2' ' OE2' ' A' ' 82' ' ' GLU . 99.6 mtt180 -60.44 -36.32 77.93 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.865 -179.838 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 53.8 tp10 -55.82 -39.72 71.77 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.26 -0.645 . . . . 0.0 109.26 -179.646 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.9 -36.44 79.28 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.041 179.504 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 77.9 m-85 -77.88 -42.06 34.62 Favored 'General case' 0 C--N 1.332 -0.193 0 C-N-CA 120.755 -0.378 . . . . 0.0 110.57 178.807 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? -45.63 -30.87 1.65 Allowed 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.33 -179.481 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.465 HG11 HG23 ' B' ' 39' ' ' THR . 53.2 t -61.46 -39.46 82.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.51 179.491 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -85.18 -25.23 27.53 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.609 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 67.8 t0 -90.79 84.83 5.88 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 178.638 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 25.8 tttp -87.52 -22.72 24.7 Favored 'General case' 0 N--CA 1.448 -0.552 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.754 -179.407 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -74.08 -26.54 60.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.992 0.425 . . . . 0.0 109.893 178.784 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 70.56 26.56 73.91 Favored Glycine 0 CA--C 1.526 0.725 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -93.8 -2.9 52.96 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.99 -0.284 . . . . 0.0 111.189 -179.83 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . 0.414 ' C ' ' CD1' ' A' ' 99' ' ' TYR . . . 93.53 9.79 59.82 Favored Glycine 0 CA--C 1.531 1.032 0 N-CA-C 111.355 -0.698 . . . . 0.0 111.355 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.446 ' CD1' ' N ' ' A' ' 99' ' ' TYR . 21.2 m-85 -136.55 158.68 43.86 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-O 121.217 0.532 . . . . 0.0 112.209 -179.647 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.401 HD13 HG21 ' A' ' 100' ' ' ILE . 1.4 pt -130.43 144.25 38.53 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.149 0 N-CA-C 108.435 -0.95 . . . . 0.0 108.435 178.161 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 71.7 m -70.33 104.1 2.59 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 119.821 -0.751 . . . . 0.0 109.04 179.071 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.523 ' HB3' ' O ' ' A' ' 134' ' ' GLY . . . -48.82 -21.22 0.59 Allowed 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 112.501 0.556 . . . . 0.0 112.501 -177.387 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -61.34 -41.03 96.38 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 119.741 -0.783 . . . . 0.0 109.041 178.673 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.716 ' O ' HG23 ' A' ' 108' ' ' VAL . 4.7 pt-20 -73.15 -29.35 62.81 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.176 179.782 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 46.6 tp -61.18 -48.92 79.31 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 -179.765 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.483 ' O ' HG23 ' A' ' 110' ' ' THR . 8.3 tmm_? -57.71 -49.42 76.61 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.466 -179.262 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . 0.527 ' O ' ' N ' ' A' ' 111' ' ' ASN . 86.1 t60 -60.7 -44.22 96.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.35 0.595 . . . . 0.0 109.964 179.552 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.716 HG23 ' O ' ' A' ' 104' ' ' GLU . 58.6 t -62.08 -39.32 83.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 115.143 -0.935 . . . . 0.0 111.123 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -76.77 -22.41 53.79 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.3 -179.599 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.483 HG23 ' O ' ' A' ' 106' ' ' ARG . 71.8 p -106.05 -17.79 14.23 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.734 -0.386 . . . . 0.0 111.766 -178.514 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . 0.527 ' N ' ' O ' ' A' ' 107' ' ' HIS . 57.0 t30 -109.96 -34.96 6.27 Favored 'General case' 0 N--CA 1.466 0.335 0 N-CA-C 112.624 0.602 . . . . 0.0 112.624 -178.486 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.466 ' O ' ' O ' ' A' ' 113' ' ' GLY . 86.6 mt -107.52 140.23 40.83 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-O 120.87 0.367 . . . . 0.0 111.729 -178.752 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . 0.569 ' O ' ' C ' ' A' ' 114' ' ' GLU . . . 55.94 124.3 0.01 OUTLIER Glycine 0 CA--C 1.524 0.612 0 CA-C-N 115.552 -0.749 . . . . 0.0 111.364 179.195 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . 0.569 ' C ' ' O ' ' A' ' 113' ' ' GLY . 98.8 mt-10 13.66 88.14 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.68 0 O-C-N 123.776 0.339 . . . . 0.0 110.957 179.483 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 62.6 mttp -47.45 134.48 11.86 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.621 -177.355 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.614 HD12 ' HB3' ' A' ' 120' ' ' GLU . 4.3 mm? -90.32 157.87 17.43 Favored 'General case' 0 N--CA 1.463 0.178 0 N-CA-C 108.895 -0.779 . . . . 0.0 108.895 178.786 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . 0.536 ' O ' HG23 ' A' ' 121' ' ' VAL . 69.5 p -90.66 168.42 11.79 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.781 -0.368 . . . . 0.0 110.062 179.321 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -59.45 -40.7 87.71 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.799 -0.36 . . . . 0.0 110.598 -179.466 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 53.3 tp10 -62.36 -42.33 99.31 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.095 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . 0.614 ' HB3' HD12 ' A' ' 116' ' ' LEU . 52.6 mt-10 -69.51 -39.78 77.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.119 178.826 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.536 HG23 ' O ' ' A' ' 117' ' ' THR . 66.6 t -64.93 -43.47 96.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.857 179.356 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -59.91 -40.94 90.52 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 120.369 -0.532 . . . . 0.0 109.838 -179.091 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . 0.44 ' OE2' ' NE2' ' B' ' 54' ' ' GLN . 88.6 tt0 -63.83 -40.07 95.72 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 178.37 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . 0.597 ' SD ' ' CD1' ' B' ' 50' ' ' PHE . 47.3 mmm -63.38 -41.42 98.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.401 -0.818 . . . . 0.0 110.357 179.448 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . 0.446 HD13 HG12 ' A' ' 121' ' ' VAL . 0.9 OUTLIER -67.02 -34.25 68.64 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.132 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.612 -179.729 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 1.2 mmp_? -63.19 -32.06 73.36 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.611 -179.741 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -95.56 -10.12 30.47 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.801 179.493 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.617 ' HB1' HG21 ' A' ' 136' ' ' VAL . . . -78.66 -74.35 0.28 Allowed 'General case' 0 CA--C 1.533 0.294 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.286 -179.397 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . 0.513 ' CG ' ' N ' ' A' ' 130' ' ' ILE . 28.0 t70 168.26 -107.97 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.891 0 O-C-N 123.675 0.609 . . . . 0.0 110.839 179.118 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . 0.731 ' O ' HG22 ' A' ' 130' ' ' ILE . 77.9 mt 61.29 50.15 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 115.138 -0.937 . . . . 0.0 112.163 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -62.48 -41.91 99.12 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 178.6 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -161.99 -54.15 0.02 OUTLIER Glycine 0 CA--C 1.526 0.754 0 CA-C-N 115.679 -0.691 . . . . 0.0 111.576 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -60.56 -37.97 83.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.896 0.379 . . . . 0.0 110.756 -179.423 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . 0.523 ' O ' ' HB3' ' A' ' 102' ' ' ALA . . . 105.87 -23.43 29.4 Favored Glycine 0 CA--C 1.525 0.672 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.701 179.59 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 17.0 pt20 -58.49 148.3 28.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 117.572 0.686 . . . . 0.0 111.119 -179.545 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . 0.617 HG21 ' HB1' ' A' ' 128' ' ' ALA . 1.8 t -128.26 134.58 64.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.153 -179.546 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . 0.438 ' OD1' ' O ' ' A' ' 137' ' ' ASN . 37.0 p-10 -93.17 114.69 27.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.861 179.244 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 46.6 p90 -65.07 -9.24 20.77 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 112.196 0.443 . . . . 0.0 112.196 -178.732 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . 0.441 ' HG3' HE21 ' A' ' 143' ' ' GLN . 52.9 tp10 -59.53 -49.86 76.13 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 120.198 -0.601 . . . . 0.0 110.463 -179.182 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . 0.408 ' HG2' HD21 ' A' ' 137' ' ' ASN . 76.9 mm-40 -60.34 -38.37 83.58 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 120.627 0.251 . . . . 0.0 111.049 -179.081 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . 0.434 ' CE1' ' CE ' ' A' ' 144' ' ' MET . 2.1 m-85 -61.3 -43.5 98.76 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 120.514 -0.474 . . . . 0.0 109.869 178.712 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 53.7 t -64.72 -45.39 95.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.637 178.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . 0.643 ' O ' ' HB3' ' A' ' 147' ' ' ALA . 52.3 mt-30 -63.08 -41.69 99.47 Favored 'General case' 0 CA--C 1.521 -0.157 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 179.019 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 144' ' ' MET . . . . . 0.434 ' CE ' ' CE1' ' A' ' 141' ' ' PHE . 2.6 ttp -60.73 -46.54 90.04 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.328 -0.851 . . . . 0.0 109.11 178.358 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 8.8 mtm -74.5 -18.84 60.55 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.783 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 75.8 p -114.36 16.38 17.85 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.023 0.439 . . . . 0.0 110.401 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . 0.643 ' HB3' ' O ' ' A' ' 143' ' ' GLN . . . -155.82 -172.14 4.02 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.626 179.712 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.22 -0.486 0 CA-C-O 117.985 -1.007 . . . . 0.0 110.338 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 30' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.49 1.556 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 58.0 p30 -92.89 10.43 31.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.706 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . 0.422 HD13 HG21 ' B' ' 32' ' ' ILE . 1.9 pt -82.7 156.01 3.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.552 -179.321 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 65.7 m-20 -85.71 80.54 8.94 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.403 -0.591 . . . . 0.0 109.403 179.214 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 34' ' ' MET . . . . . 0.421 ' HE2' HD11 ' A' ' 112' ' ' LEU . 78.2 mtp -63.86 -36.03 82.6 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.206 -178.789 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -60.79 -38.0 83.81 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.109 -178.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.4 120.93 56.25 Favored Pre-proline 0 CA--C 1.54 0.591 0 C-N-CA 120.594 -0.442 . . . . 0.0 110.494 -179.674 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_exo -51.92 -33.57 52.35 Favored 'Trans proline' 0 N--CA 1.5 1.872 0 C-N-CA 122.023 1.816 . . . . 0.0 112.45 178.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -60.77 -38.41 85.18 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.964 -179.322 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . 0.465 HG23 HG11 ' A' ' 91' ' ' VAL . 98.3 m -60.22 -45.86 91.76 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 120.885 -0.326 . . . . 0.0 110.621 -179.768 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 15.9 tm-20 -62.49 -42.2 99.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.367 -0.378 . . . . 0.0 110.443 179.801 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 31.9 mmt180 -63.07 -38.61 91.89 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.541 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -60.32 -39.1 85.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.38 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -60.65 -40.02 90.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.21 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 59.6 t -61.97 -44.1 98.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.443 -179.56 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -60.38 -45.68 92.68 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.739 -0.384 . . . . 0.0 111.253 -179.155 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 91.5 mt -65.31 -45.09 94.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-O 120.963 0.411 . . . . 0.0 111.054 179.749 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 47' ' ' GLN . . . . . 0.524 ' NE2' ' O ' ' A' ' 113' ' ' GLY . 93.6 mt-30 -63.06 -41.06 99.38 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.36 -179.604 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 74.7 m -61.96 -41.95 98.56 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 120.649 -0.42 . . . . 0.0 110.014 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 73.0 mm-40 -65.98 -39.4 90.33 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.684 179.615 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 50' ' ' PHE . . . . . 0.597 ' CD1' ' SD ' ' A' ' 124' ' ' MET . 39.3 t80 -59.88 -48.24 82.51 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 120.681 -0.408 . . . . 0.0 110.389 179.761 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 43.8 ttm180 -61.36 -41.36 96.95 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.048 0.451 . . . . 0.0 109.795 179.188 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 27.5 tptp -60.94 -38.41 85.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.395 179.786 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 53' ' ' PHE . . . . . . . . . . . . . 51.3 t80 -56.5 -45.74 80.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.551 -179.26 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 54' ' ' GLN . . . . . 0.44 ' NE2' ' OE2' ' A' ' 123' ' ' GLU . 99.4 mm-40 -61.63 -40.12 93.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.517 -179.545 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -62.47 -39.31 93.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.764 0.316 . . . . 0.0 110.665 179.789 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 20.8 ttmm -60.51 -43.67 96.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.31 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 64.9 tttp -60.78 -43.63 97.84 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.437 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.95 -40.37 93.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.537 -179.786 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 80.39 -171.68 54.25 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 111.24 -0.744 . . . . 0.0 111.24 179.821 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 70.2 m -105.05 22.58 15.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.642 0.258 . . . . 0.0 110.643 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 20.1 pt20 -134.89 156.49 48.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.796 -179.456 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 68.2 p . . . . . 0 C--O 1.22 -0.489 0 CA-C-O 118.054 -0.974 . . . . 0.0 110.584 -179.911 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 60.4 ttm . . . . . 0 N--CA 1.489 1.517 0 N-CA-C 109.238 -0.652 . . . . 0.0 109.238 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 64.1 mttp -71.87 150.09 44.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.486 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 67.8 m-20 57.4 40.92 27.05 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.395 -179.441 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.467 ' O ' ' C ' ' A' ' 80' ' ' ASP . 3.5 t -71.98 57.27 0.32 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.222 179.874 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.467 ' C ' ' O ' ' A' ' 79' ' ' THR . 98.9 m-20 -22.52 105.22 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.412 0 O-C-N 123.966 0.791 . . . . 0.0 111.981 -178.785 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 71.0 m -83.22 -4.98 58.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.445 -0.798 . . . . 0.0 111.055 179.799 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -57.54 -39.55 76.88 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.405 -0.518 . . . . 0.0 109.721 -179.209 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -64.52 -39.56 93.99 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.73 179.086 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -62.88 -44.95 94.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.191 -179.616 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 4.8 mm -67.45 -43.12 87.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.81 0.338 . . . . 0.0 110.544 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -60.46 -36.29 77.9 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.968 -179.804 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -55.06 -41.23 71.23 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.025 -0.731 . . . . 0.0 109.025 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -59.45 -35.86 74.86 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.752 179.588 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 82.7 m-85 -80.06 -41.24 26.03 Favored 'General case' 0 C--N 1.332 -0.161 0 C-N-CA 120.662 -0.415 . . . . 0.0 110.338 178.653 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -49.85 -26.97 4.51 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.441 -178.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 53.9 t -61.81 -40.25 86.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 N-CA-C 110.075 -0.343 . . . . 0.0 110.075 178.525 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -83.9 -24.92 30.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.706 -179.709 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 65.9 t0 -91.71 84.64 5.47 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 178.569 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 5.2 ttmt -86.38 -18.33 32.11 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.645 -179.185 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 70.8 m-20 -81.84 -25.94 34.7 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.72 -0.392 . . . . 0.0 110.075 179.051 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 70.69 29.76 69.2 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.842 -0.903 . . . . 0.0 110.842 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 17.2 t-20 -92.71 -5.97 50.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.617 0.246 . . . . 0.0 110.88 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . 0.417 ' C ' ' CD1' ' A' ' 99' ' ' TYR . . . 94.28 9.42 59.23 Favored Glycine 0 CA--C 1.529 0.928 0 N-CA-C 111.325 -0.71 . . . . 0.0 111.325 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.424 ' CD1' ' N ' ' A' ' 99' ' ' TYR . 32.9 m-85 -137.53 158.3 44.69 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.133 0.492 . . . . 0.0 111.919 -179.653 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 3.3 pt -130.04 145.6 35.39 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.159 0 N-CA-C 107.485 -1.302 . . . . 0.0 107.485 178.033 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 66.8 m -63.93 136.48 57.39 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 119.809 -0.756 . . . . 0.0 110.693 -179.566 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.567 ' HB2' HG23 ' A' ' 136' ' ' VAL . . . -64.27 -38.47 91.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.949 -179.823 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -59.64 -40.63 88.3 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.951 -177.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.565 ' O ' HG23 ' A' ' 108' ' ' VAL . 4.5 pt-20 -70.22 -27.88 64.83 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 120.45 -0.5 . . . . 0.0 110.49 -179.259 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 24.2 tp -61.28 -50.41 73.13 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.794 ' CZ ' HG11 ' A' ' 121' ' ' VAL . 8.2 tpp180 -55.33 -51.37 66.96 Favored 'General case' 0 N--CA 1.462 0.152 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.181 -179.883 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . 0.582 ' CE1' ' ND2' ' A' ' 111' ' ' ASN . 82.3 t60 -61.87 -47.06 86.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.096 0.474 . . . . 0.0 111.611 179.751 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.565 HG23 ' O ' ' A' ' 104' ' ' GLU . 53.1 t -62.2 -39.86 85.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 115.629 -0.714 . . . . 0.0 112.096 -178.868 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -75.1 -25.19 58.32 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.659 -179.522 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.463 ' CG2' HG21 ' A' ' 121' ' ' VAL . 72.9 p -106.01 -16.94 14.49 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 120.679 -0.408 . . . . 0.0 111.851 -178.647 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . 0.582 ' ND2' ' CE1' ' A' ' 107' ' ' HIS . 59.4 t30 -106.6 -37.19 6.52 Favored 'General case' 0 CA--C 1.533 0.312 0 N-CA-C 112.38 0.511 . . . . 0.0 112.38 -178.765 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.452 ' O ' ' O ' ' A' ' 113' ' ' GLY . 83.9 mt -108.69 140.57 41.91 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-O 120.961 0.41 . . . . 0.0 111.673 -178.698 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . 0.547 ' O ' ' C ' ' A' ' 114' ' ' GLU . . . 57.04 124.23 0.01 OUTLIER Glycine 0 CA--C 1.524 0.605 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.475 179.162 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . 0.547 ' C ' ' O ' ' A' ' 113' ' ' GLY . 43.8 mp0 14.19 88.52 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.658 0 O-C-N 124.054 0.502 . . . . 0.0 110.917 179.481 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 62.6 mttp -47.16 131.46 12.79 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 120.974 0.416 . . . . 0.0 111.556 -177.244 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.634 HD12 ' HB3' ' A' ' 120' ' ' GLU . 4.2 mm? -89.69 156.88 18.26 Favored 'General case' 0 N--CA 1.462 0.142 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 178.869 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . 0.414 ' O ' HG23 ' A' ' 121' ' ' VAL . 64.3 p -88.01 166.97 14.09 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 109.883 -0.414 . . . . 0.0 109.883 179.085 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -59.88 -39.78 86.42 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 120.726 -0.39 . . . . 0.0 110.691 -179.52 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -63.03 -41.06 99.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.903 0.382 . . . . 0.0 110.016 179.753 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . 0.634 ' HB3' HD12 ' A' ' 116' ' ' LEU . 52.3 mt-10 -69.73 -40.01 76.47 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.264 179.07 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.794 HG11 ' CZ ' ' A' ' 106' ' ' ARG . 56.1 t -63.18 -41.93 94.61 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 116.052 -0.522 . . . . 0.0 109.792 178.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 68.1 t0 -59.65 -42.59 93.14 Favored 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 120.548 -0.461 . . . . 0.0 110.305 -179.299 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 -61.94 -40.17 94.6 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.452 0.644 . . . . 0.0 109.46 179.163 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . 0.596 ' SD ' ' CD1' ' B' ' 50' ' ' PHE . 46.3 mmm -64.66 -41.06 96.36 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.041 -0.981 . . . . 0.0 109.889 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . 0.513 HD13 HG12 ' A' ' 121' ' ' VAL . 0.9 OUTLIER -65.5 -37.24 79.55 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.167 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.541 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 17.6 tpp180 -60.14 -34.18 73.18 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.282 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . 0.448 ' CD ' ' SD ' ' A' ' 144' ' ' MET . 64.9 mt-10 -96.34 -2.85 44.93 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.911 179.699 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -86.22 -78.1 0.29 Allowed 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 111.946 0.35 . . . . 0.0 111.946 -179.076 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . 0.505 ' CG ' ' N ' ' A' ' 130' ' ' ILE . 63.9 t0 176.05 -113.6 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.472 0 O-C-N 123.644 0.59 . . . . 0.0 111.062 -179.645 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . 0.732 HG22 ' N ' ' A' ' 131' ' ' ASP . 67.6 mt 64.89 -121.01 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.455 -0.182 0 CA-C-N 115.048 -0.978 . . . . 0.0 111.257 -179.432 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . 0.732 ' N ' HG22 ' A' ' 130' ' ' ILE . 47.0 m-20 66.97 -31.8 0.17 Allowed 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.168 -178.288 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . 0.605 ' H ' ' C ' ' A' ' 130' ' ' ILE . . . 169.42 -0.44 0.04 OUTLIER Glycine 0 CA--C 1.526 0.734 0 N-CA-C 110.83 -0.908 . . . . 0.0 110.83 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -84.54 -41.55 16.37 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.856 0.36 . . . . 0.0 110.97 179.809 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 85.3 -6.82 78.41 Favored Glycine 0 CA--C 1.526 0.746 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 34.1 mm-40 -117.3 166.74 11.93 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-O 120.642 0.258 . . . . 0.0 110.381 -179.8 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . 0.567 HG23 ' HB2' ' A' ' 102' ' ' ALA . 25.6 t -134.95 132.01 53.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.35 179.808 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . 0.444 ' OD1' ' O ' ' A' ' 137' ' ' ASN . 36.0 p-10 -95.89 110.62 22.78 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.742 -0.383 . . . . 0.0 110.106 179.191 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 36.4 p90 -61.83 -10.12 8.36 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 112.065 0.395 . . . . 0.0 112.065 -178.748 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -59.43 -49.24 78.55 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 119.986 -0.686 . . . . 0.0 110.61 -179.043 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -60.48 -41.33 93.99 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.673 0.273 . . . . 0.0 110.983 -179.324 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -60.79 -45.43 94.43 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 120.58 -0.448 . . . . 0.0 110.149 179.512 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . 0.466 ' O ' ' OG1' ' A' ' 146' ' ' THR . 52.9 t -64.59 -40.85 90.48 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.691 179.341 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 11.2 tp-100 -58.1 -43.63 87.24 Favored 'General case' 0 N--CA 1.455 -0.189 0 C-N-CA 120.233 -0.587 . . . . 0.0 109.447 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 144' ' ' MET . . . . . 0.448 ' SD ' ' CD ' ' A' ' 127' ' ' GLU . 73.4 mtm -59.8 -40.15 87.38 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 179.535 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 67.7 mtt -72.7 -18.25 61.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.868 -0.606 . . . . 0.0 111.974 -179.678 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 146' ' ' THR . . . . . 0.466 ' OG1' ' O ' ' A' ' 142' ' ' VAL . 0.0 OUTLIER -97.35 23.9 7.07 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.873 0.368 . . . . 0.0 110.564 179.734 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -133.0 -107.28 0.24 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.299 179.599 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 41.5 mmtm . . . . . 0 C--O 1.22 -0.489 0 CA-C-O 117.999 -1.001 . . . . 0.0 110.497 179.885 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 30' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 . . . . . 0 N--CA 1.49 1.537 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 53.6 t0 55.01 47.64 21.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.151 179.701 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 1.5 pt -130.47 163.6 35.72 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.163 0 N-CA-C 109.994 -0.373 . . . . 0.0 109.994 179.746 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 66.5 m-20 -90.53 79.47 6.17 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 120.784 -0.366 . . . . 0.0 110.217 179.49 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 34' ' ' MET . . . . . . . . . . . . . 57.7 mtt -62.03 -38.25 87.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.514 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -60.94 -38.68 86.68 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.772 -179.627 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -59.93 123.19 70.87 Favored Pre-proline 0 CA--C 1.54 0.589 0 C-N-CA 120.655 -0.418 . . . . 0.0 110.375 -179.613 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_exo -51.86 -30.74 39.82 Favored 'Trans proline' 0 N--CA 1.5 1.883 0 C-N-CA 121.84 1.693 . . . . 0.0 112.709 179.138 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -60.7 -40.09 90.94 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.154 -178.819 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 98.1 m -61.93 -46.34 89.75 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.443 -0.503 . . . . 0.0 110.525 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -63.54 -41.72 98.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.254 179.767 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 34.6 mmt180 -65.42 -38.73 90.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.315 179.666 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -60.76 -40.68 93.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.25 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -61.73 -39.93 93.28 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.177 179.701 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 66.4 t -61.74 -45.61 98.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.6 -179.35 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 45' ' ' ALA . . . . . 0.548 ' O ' ' NE2' ' B' ' 49' ' ' GLN . . . -61.03 -46.6 90.06 Favored 'General case' 0 C--N 1.332 -0.193 0 C-N-CA 120.776 -0.37 . . . . 0.0 111.367 -178.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 90.4 mt -64.18 -46.19 94.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 121.012 0.434 . . . . 0.0 110.543 179.685 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 47' ' ' GLN . . . . . 0.523 ' NE2' ' O ' ' A' ' 113' ' ' GLY . 94.4 mt-30 -64.76 -41.14 96.12 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.055 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 75.8 m -62.47 -42.43 99.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.981 0.42 . . . . 0.0 110.356 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . 0.548 ' NE2' ' O ' ' B' ' 45' ' ' ALA . 2.3 mp0 -68.29 -37.64 80.87 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.938 -0.573 . . . . 0.0 110.987 179.622 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 50' ' ' PHE . . . . . 0.596 ' CD1' ' SD ' ' A' ' 124' ' ' MET . 37.2 t80 -59.79 -48.09 83.08 Favored 'General case' 0 C--N 1.331 -0.205 0 C-N-CA 120.948 -0.301 . . . . 0.0 111.146 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 91.8 mtm180 -61.67 -40.89 96.54 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.493 -0.483 . . . . 0.0 110.495 -179.78 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -62.9 -38.87 92.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.048 0.451 . . . . 0.0 110.202 179.303 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 53' ' ' PHE . . . . . . . . . . . . . 85.3 t80 -59.25 -47.41 85.44 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.436 -179.724 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -62.58 -40.72 97.77 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.522 -179.659 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -62.67 -39.47 94.05 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.732 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 25.6 mmtp -61.94 -39.82 93.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.46 -179.82 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 21.3 tptm -61.33 -42.53 98.84 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 179.834 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.91 -29.89 70.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.718 179.737 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . -58.97 151.23 34.67 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 111.067 -0.813 . . . . 0.0 111.067 -179.425 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 83.0 p -70.01 160.22 32.36 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.917 0.389 . . . . 0.0 110.897 -179.418 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 24.4 pt20 -153.06 29.61 0.5 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.568 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 60.5 p . . . . . 0 C--O 1.22 -0.5 0 CA-C-O 117.97 -1.014 . . . . 0.0 110.593 -179.939 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 12.9 mmt . . . . . 0 N--CA 1.49 1.541 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 64.2 mttp 54.92 38.29 30.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.552 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.5 ' O ' ' N ' ' A' ' 80' ' ' ASP . 68.3 t0 -156.5 67.1 0.56 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.297 179.723 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.474 ' C ' ' O ' ' A' ' 78' ' ' ASP . 19.6 p 25.31 -88.87 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.441 0 O-C-N 123.941 0.776 . . . . 0.0 111.361 179.824 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.5 ' N ' ' O ' ' A' ' 78' ' ' ASP . 45.8 p-10 -120.93 104.49 9.87 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.5 179.606 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 85.6 p -80.73 -7.71 59.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.848 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.428 ' HG3' HG21 ' A' ' 146' ' ' THR . 61.1 mp0 -56.44 -36.55 69.14 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.23 -0.656 . . . . 0.0 109.23 -179.212 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 21.5 pt-20 -66.17 -32.75 74.38 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.825 179.474 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -61.36 -46.24 91.05 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-O 120.922 0.391 . . . . 0.0 111.074 -178.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 4.2 mm -70.2 -33.14 53.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 116.168 -0.469 . . . . 0.0 109.912 178.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 42.5 ttm180 -61.41 -38.81 88.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.803 179.497 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -58.67 -38.81 78.99 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.168 -179.564 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.451 ' HB1' ' HB1' ' B' ' 42' ' ' ALA . . . -60.44 -33.44 72.54 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.609 179.336 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 54.2 m-85 -74.94 -40.23 60.91 Favored 'General case' 0 CA--C 1.528 0.124 0 C-N-CA 120.526 -0.47 . . . . 0.0 110.103 177.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -44.59 -29.33 0.72 Allowed 'General case' 0 CA--C 1.52 -0.195 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.217 -179.627 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 55.8 t -60.4 -39.79 82.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.508 179.514 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 18.1 m-85 -89.02 -27.15 21.04 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.795 -0.362 . . . . 0.0 110.861 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 64.8 t0 -88.04 72.27 9.23 Favored 'General case' 0 C--N 1.332 -0.159 0 N-CA-C 109.557 -0.535 . . . . 0.0 109.557 178.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.538 ' HZ2' ' HB3' ' B' ' 31' ' ' ASP . 65.3 pttt -68.77 -19.9 64.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.958 -179.34 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -83.8 -25.39 30.45 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.716 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 68.46 32.47 75.34 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.288 -1.125 . . . . 0.0 110.288 -179.531 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 57.8 t30 -94.38 -3.91 49.44 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.691 0.282 . . . . 0.0 110.824 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 94.26 5.72 61.91 Favored Glycine 0 CA--C 1.528 0.878 0 N-CA-C 111.422 -0.671 . . . . 0.0 111.422 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.455 ' CD1' ' N ' ' A' ' 99' ' ' TYR . 21.8 m-85 -136.24 158.59 44.06 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.766 0.317 . . . . 0.0 110.902 -179.871 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.411 HD13 HG21 ' A' ' 100' ' ' ILE . 0.2 OUTLIER -131.23 149.59 33.49 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.165 0 N-CA-C 107.434 -1.321 . . . . 0.0 107.434 177.481 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 68.8 m -60.43 134.03 56.67 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 119.911 -0.715 . . . . 0.0 110.412 -179.061 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.639 ' HB2' HG23 ' A' ' 136' ' ' VAL . . . -65.75 -38.0 87.91 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.491 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -60.5 -42.01 95.46 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 112.521 0.563 . . . . 0.0 112.521 -178.115 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.717 ' O ' HG23 ' A' ' 108' ' ' VAL . 6.4 pt-20 -69.26 -29.08 66.9 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.447 -0.501 . . . . 0.0 110.569 -178.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 2.5 tt -61.05 -47.89 84.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 109.853 179.742 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.74 -49.96 73.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.139 -179.296 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . 0.496 ' O ' ' N ' ' A' ' 111' ' ' ASN . 86.5 t60 -61.57 -44.28 97.31 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.264 0.554 . . . . 0.0 110.229 179.515 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.717 HG23 ' O ' ' A' ' 104' ' ' GLU . 64.4 t -61.39 -39.84 84.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.35 -0.841 . . . . 0.0 110.2 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . 0.47 ' N ' ' SD ' ' A' ' 109' ' ' MET . 0.0 OUTLIER -74.52 -25.07 59.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.857 -179.702 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 73.3 p -105.48 -17.21 14.5 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 112.294 0.479 . . . . 0.0 112.294 -178.468 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . 0.496 ' N ' ' O ' ' A' ' 107' ' ' HIS . 63.5 t30 -113.03 -50.39 2.88 Favored 'General case' 0 N--CA 1.469 0.495 0 N-CA-C 112.981 0.734 . . . . 0.0 112.981 -178.375 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.543 HD12 HG22 ' A' ' 108' ' ' VAL . 83.3 mt -86.83 155.28 20.35 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.777 0.322 . . . . 0.0 111.404 -178.394 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 62.24 -111.02 3.62 Favored Glycine 0 CA--C 1.521 0.438 0 C-N-CA 121.035 -0.602 . . . . 0.0 111.605 178.848 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . 0.542 ' CB ' HH22 ' B' ' 51' ' ' ARG . 79.5 mm-40 -99.41 166.54 11.13 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.419 -0.585 . . . . 0.0 109.419 178.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 46.1 mtpt -109.41 104.98 14.16 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.049 0.452 . . . . 0.0 109.782 178.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.557 HD12 ' HB3' ' A' ' 120' ' ' GLU . 4.3 mm? -86.3 151.36 23.66 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 108.677 -0.861 . . . . 0.0 108.677 179.187 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . 0.442 ' OG1' ' OE1' ' A' ' 120' ' ' GLU . 69.1 p -87.78 169.93 11.65 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 120.661 -0.415 . . . . 0.0 109.979 179.39 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . 0.536 ' OD1' ' N ' ' A' ' 119' ' ' GLU . 40.7 p-10 -56.76 -40.95 76.76 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 120.674 -0.41 . . . . 0.0 110.537 -179.746 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . 0.536 ' N ' ' OD1' ' A' ' 118' ' ' ASP . 98.7 mt-10 -62.59 -41.26 98.85 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.622 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . 0.557 ' HB3' HD12 ' A' ' 116' ' ' LEU . 0.5 OUTLIER -71.42 -41.43 69.53 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.919 0.39 . . . . 0.0 110.946 178.649 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 53.3 t -63.74 -42.33 95.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.12 179.766 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -60.55 -40.19 90.71 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.6 -0.44 . . . . 0.0 109.844 179.754 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -62.04 -40.77 96.86 Favored 'General case' 0 CA--C 1.518 -0.264 0 CA-C-O 121.441 0.638 . . . . 0.0 109.629 178.464 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . 0.603 ' SD ' ' CG ' ' B' ' 50' ' ' PHE . 46.0 mmm -64.67 -41.6 95.97 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 114.899 -1.046 . . . . 0.0 110.147 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 1.2 mp -65.33 -37.68 80.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.762 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 42.8 ttm180 -60.12 -33.15 71.73 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.076 0.465 . . . . 0.0 110.045 179.315 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 57.8 mt-10 -95.67 -11.36 27.26 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.969 179.419 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.444 ' O ' ' CB ' ' A' ' 129' ' ' ASP . . . -78.18 -67.69 0.71 Allowed 'General case' 0 N--CA 1.463 0.222 0 C-N-CA 120.881 -0.328 . . . . 0.0 111.364 -179.384 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . 0.522 ' OD2' ' ND2' ' A' ' 137' ' ' ASN . 1.2 m-20 163.78 -90.41 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.466 0 CA-C-O 121.12 0.486 . . . . 0.0 112.005 179.861 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . 0.729 HG22 ' N ' ' A' ' 131' ' ' ASP . 61.0 mt 38.18 -124.86 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.737 -177.651 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . 0.729 ' N ' HG22 ' A' ' 130' ' ' ILE . 5.2 t70 73.6 -29.14 0.2 Allowed 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.193 -0.669 . . . . 0.0 109.193 -178.356 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . 0.599 ' H ' ' C ' ' A' ' 130' ' ' ILE . . . 161.23 -6.88 0.1 OUTLIER Glycine 0 CA--C 1.527 0.782 0 N-CA-C 110.108 -1.197 . . . . 0.0 110.108 -179.871 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -71.21 -42.34 69.07 Favored 'General case' 0 C--O 1.232 0.132 0 CA-C-O 121.131 0.491 . . . . 0.0 110.396 178.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 86.25 -12.54 60.21 Favored Glycine 0 CA--C 1.53 0.992 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.605 179.429 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -121.14 168.61 11.38 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 120.877 0.37 . . . . 0.0 110.863 -179.405 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . 0.639 HG23 ' HB2' ' A' ' 102' ' ' ALA . 44.9 t -134.3 133.31 55.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.668 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . 0.522 ' ND2' ' OD2' ' A' ' 129' ' ' ASP . 0.0 OUTLIER -94.48 106.53 18.51 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 178.598 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 38.9 p90 -62.17 -14.05 33.6 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.715 -0.394 . . . . 0.0 111.401 -179.13 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -58.8 -49.94 75.82 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.196 -0.602 . . . . 0.0 110.426 -179.287 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 53.0 tp10 -61.04 -42.55 98.69 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.923 -0.311 . . . . 0.0 110.417 -179.497 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -59.48 -48.4 81.78 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.532 -0.467 . . . . 0.0 109.759 179.115 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . 0.599 ' O ' HG23 ' A' ' 146' ' ' THR . 75.2 t -63.03 -43.17 98.88 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 C-N-CA 120.73 -0.388 . . . . 0.0 110.274 179.763 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 10.9 tp-100 -60.98 -41.53 96.62 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 108.658 -0.867 . . . . 0.0 108.658 178.673 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 2.0 ttp -65.94 -49.49 67.74 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 115.133 -0.939 . . . . 0.0 110.509 178.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 66.2 mtt -64.46 -35.84 82.23 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 112.942 0.719 . . . . 0.0 112.942 -179.295 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 146' ' ' THR . . . . . 0.599 HG23 ' O ' ' A' ' 142' ' ' VAL . 44.5 p -68.04 -36.2 79.52 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 120.203 -0.599 . . . . 0.0 111.6 -178.697 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -55.97 82.22 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.983 0.421 . . . . 0.0 110.572 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . 0.547 ' N ' ' O ' ' A' ' 146' ' ' THR . 0.9 OUTLIER . . . . . 0 C--O 1.22 -0.473 0 CA-C-O 118.013 -0.994 . . . . 0.0 110.554 -179.729 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 30' ' ' PHE . . . . . . . . . . . . . 29.7 m-85 . . . . . 0 N--CA 1.49 1.562 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 31' ' ' ASP . . . . . 0.538 ' HB3' ' HZ2' ' A' ' 94' ' ' LYS . 96.8 m-20 56.99 36.5 27.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.187 0.518 . . . . 0.0 109.877 -179.22 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 77.4 mt -122.28 131.85 72.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.324 -0.853 . . . . 0.0 110.649 179.548 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 66.8 t0 -82.44 105.23 13.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.371 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 34' ' ' MET . . . . . . . . . . . . . 61.5 mtt -87.68 -8.79 55.69 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.08 -179.525 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 97.3 m-20 -74.87 -11.07 60.05 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.569 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -94.03 112.11 55.86 Favored Pre-proline 0 CA--C 1.539 0.554 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.901 -179.689 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 67.4 Cg_exo -52.4 -23.9 20.05 Favored 'Trans proline' 0 N--CA 1.497 1.719 0 C-N-CA 121.928 1.752 . . . . 0.0 111.976 178.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 60.9 mp0 -60.1 -37.98 81.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.353 -179.57 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 94.5 m -60.41 -41.17 93.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.101 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 66.4 mm-40 -60.66 -42.12 96.39 Favored 'General case' 0 C--N 1.331 -0.199 0 C-N-CA 120.866 -0.333 . . . . 0.0 110.416 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 33.4 mmt180 -64.12 -40.89 97.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.968 0.413 . . . . 0.0 110.171 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . 0.451 ' HB1' ' HB1' ' A' ' 88' ' ' ALA . . . -65.97 -43.66 87.22 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 120.358 -0.537 . . . . 0.0 110.242 179.33 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.91 -40.71 87.75 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.537 -0.756 . . . . 0.0 112.369 -179.516 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -66.96 -37.6 79.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 C-N-CA 120.668 -0.413 . . . . 0.0 111.05 -178.232 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -63.57 -43.12 97.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.748 0.308 . . . . 0.0 111.151 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 96.7 mt -62.49 -46.52 96.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 121.238 0.542 . . . . 0.0 110.153 -179.716 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 47' ' ' GLN . . . . . 0.504 ' NE2' ' O ' ' A' ' 114' ' ' GLU . 81.2 mt-30 -63.35 -39.87 95.72 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.371 -0.832 . . . . 0.0 111.36 -179.753 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 94.2 p -63.46 -38.76 92.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.785 0.326 . . . . 0.0 110.755 -179.846 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 96.0 mm-40 -65.92 -38.47 88.77 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.456 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 50' ' ' PHE . . . . . 0.603 ' CG ' ' SD ' ' A' ' 124' ' ' MET . 30.9 t80 -58.56 -48.45 80.87 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 120.529 -0.468 . . . . 0.0 110.597 -179.356 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 51' ' ' ARG . . . . . 0.542 HH22 ' CB ' ' A' ' 114' ' ' GLU . 79.7 mtt85 -61.65 -40.19 94.03 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.797 -0.361 . . . . 0.0 110.62 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -64.26 -40.92 96.97 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.678 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 53' ' ' PHE . . . . . . . . . . . . . 73.3 t80 -60.03 -46.59 89.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.089 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 30.1 mm100 -62.0 -39.93 93.91 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.415 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 65.0 tttp -60.5 -44.41 96.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.364 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 27.1 tptp -60.87 -43.84 97.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.127 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 57' ' ' LYS . . . . . 0.435 ' O ' ' O ' ' B' ' 60' ' ' SER . 38.8 ttpt -60.59 -44.03 96.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.602 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.21 -39.06 88.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.568 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . -69.6 -10.18 63.23 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 111.352 -0.699 . . . . 0.0 111.352 -179.655 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 60' ' ' SER . . . . . 0.435 ' O ' ' O ' ' B' ' 57' ' ' LYS . 92.0 p -127.15 158.42 37.11 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.945 0.402 . . . . 0.0 110.724 -179.695 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 64.0 tt0 57.39 73.55 0.46 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.528 -179.803 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.219 -0.534 0 CA-C-O 118.023 -0.989 . . . . 0.0 110.562 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 9.2 tpt . . . . . 0 N--CA 1.49 1.574 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 98.2 mttt 54.33 38.96 30.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.375 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 59.5 p30 -103.36 12.84 34.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.694 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.3 m 72.91 77.13 0.14 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.034 0.445 . . . . 0.0 110.191 -179.484 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -112.24 140.91 46.55 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.996 -179.783 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 85.2 p -80.77 -6.68 58.84 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.34 179.46 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -54.32 -39.49 67.09 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.124 -0.489 . . . . 0.0 109.781 -179.424 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 23.3 pt-20 -63.89 -36.16 83.03 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.588 179.442 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -62.41 -47.01 85.99 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.748 -179.44 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 4.9 mm -66.53 -39.08 83.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 121.242 0.544 . . . . 0.0 109.718 179.34 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 42.2 ttm180 -58.19 -39.32 78.64 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.17 -0.923 . . . . 0.0 110.922 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -57.73 -40.1 78.82 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 -179.785 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.55 -38.86 89.02 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.142 179.6 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 54.4 m-85 -73.95 -42.45 60.5 Favored 'General case' 0 C--N 1.332 -0.161 0 C-N-CA 120.576 -0.45 . . . . 0.0 110.693 178.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 93.9 mtt-85 -49.24 -24.57 1.83 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.595 -178.636 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 56.3 t -62.53 -39.74 85.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.573 178.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 37.6 m-85 -82.12 -18.68 42.08 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 120.881 -0.328 . . . . 0.0 110.694 -179.782 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.448 ' OD1' ' OD1' ' A' ' 95' ' ' ASP . 64.6 t0 -96.49 97.09 9.14 Favored 'General case' 0 CA--C 1.53 0.211 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 179.379 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 64.8 pttt -79.26 -20.82 47.17 Favored 'General case' 0 N--CA 1.463 0.18 0 N-CA-C 113.574 0.953 . . . . 0.0 113.574 -178.407 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . 0.448 ' OD1' ' OD1' ' A' ' 93' ' ' ASP . 54.5 p30 -104.91 5.72 33.1 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.199 0.524 . . . . 0.0 110.322 179.67 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 43.84 43.03 6.59 Favored Glycine 0 CA--C 1.526 0.777 0 N-CA-C 109.923 -1.271 . . . . 0.0 109.923 179.411 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 63.2 t30 -90.12 -1.86 58.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.87 0.367 . . . . 0.0 110.835 -179.444 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 94.26 5.44 62.1 Favored Glycine 0 CA--C 1.525 0.712 0 C-N-CA 120.97 -0.633 . . . . 0.0 111.676 179.755 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.466 ' CD1' ' N ' ' A' ' 99' ' ' TYR . 14.0 m-85 -137.37 158.25 44.82 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-N 117.036 0.418 . . . . 0.0 110.577 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.409 HG21 HD13 ' A' ' 100' ' ' ILE . 0.4 OUTLIER -131.88 152.93 37.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 N-CA-C 107.688 -1.227 . . . . 0.0 107.688 177.908 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 42.2 t -63.61 127.05 29.62 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 119.759 -0.776 . . . . 0.0 110.298 -179.589 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.504 ' HB2' HG23 ' A' ' 136' ' ' VAL . . . -61.28 -35.58 77.69 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.03 -179.614 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -58.68 -49.86 76.01 Favored 'General case' 0 CA--C 1.533 0.291 0 N-CA-C 112.115 0.413 . . . . 0.0 112.115 -178.125 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.569 ' O ' HG23 ' A' ' 108' ' ' VAL . 5.6 pt-20 -61.59 -27.65 68.79 Favored 'General case' 0 C--N 1.332 -0.159 0 C-N-CA 120.204 -0.599 . . . . 0.0 110.741 -178.723 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 14.2 tp -60.96 -51.19 70.29 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.198 -0.667 . . . . 0.0 109.198 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.567 ' HD3' HG11 ' A' ' 121' ' ' VAL . 15.1 tpt180 -55.1 -51.81 65.23 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.826 -179.734 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . 0.401 ' O ' ' CB ' ' A' ' 111' ' ' ASN . 73.4 t60 -62.6 -48.68 78.37 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.9 0.381 . . . . 0.0 111.798 179.419 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.569 HG23 ' O ' ' A' ' 104' ' ' GLU . 59.1 t -61.64 -43.22 96.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.807 -0.633 . . . . 0.0 112.63 -178.412 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.62 -30.12 70.32 Favored 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 120.933 -0.307 . . . . 0.0 111.709 -179.279 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.608 ' CG2' HG21 ' A' ' 121' ' ' VAL . 49.4 p -104.51 -6.73 20.33 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 120.65 -0.42 . . . . 0.0 112.022 -178.552 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . 0.401 ' CB ' ' O ' ' A' ' 107' ' ' HIS . 28.6 t-20 -107.72 -45.57 3.99 Favored 'General case' 0 N--CA 1.464 0.262 0 C-N-CA 120.782 -0.367 . . . . 0.0 111.486 -179.667 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 68.1 mt -105.91 -178.77 3.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.47 0.652 . . . . 0.0 111.622 -178.836 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 63.6 -124.41 31.15 Favored Glycine 0 CA--C 1.526 0.748 0 CA-C-N 114.854 -1.066 . . . . 0.0 112.83 178.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . 0.496 ' N ' ' OE1' ' B' ' 47' ' ' GLN . 99.5 mt-10 -98.71 17.91 18.15 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.499 -0.351 . . . . 0.0 111.523 -178.674 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.473 ' O ' ' O ' ' A' ' 114' ' ' GLU . 50.9 mttp 44.69 104.21 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.949 -0.568 . . . . 0.0 111.348 179.207 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.633 HD12 ' HB3' ' A' ' 120' ' ' GLU . 4.5 mm? -96.59 155.78 16.62 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.07 -0.513 . . . . 0.0 109.99 179.145 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . 0.435 ' OG1' ' OE1' ' A' ' 120' ' ' GLU . 70.2 p -93.03 170.62 9.51 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 178.764 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -59.22 -39.89 84.11 Favored 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 120.736 -0.386 . . . . 0.0 110.974 -179.181 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 75.6 mm-40 -62.22 -43.53 98.63 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 120.499 -0.48 . . . . 0.0 110.892 -179.733 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . 0.633 ' HB3' HD12 ' A' ' 116' ' ' LEU . 1.0 OUTLIER -68.31 -42.08 79.91 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.806 0.336 . . . . 0.0 111.002 179.278 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.608 HG21 ' CG2' ' A' ' 110' ' ' THR . 70.6 t -63.87 -45.79 96.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.456 . . . . 0.0 109.971 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -54.59 -38.14 66.36 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 120.175 -0.61 . . . . 0.0 109.881 -178.263 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 75.4 mm-40 -61.91 -38.76 89.6 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.195 -0.669 . . . . 0.0 109.195 178.363 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . 0.611 ' SD ' ' CD1' ' B' ' 50' ' ' PHE . 26.1 mmm -69.39 -40.34 77.45 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.352 -0.84 . . . . 0.0 111.097 179.86 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . 0.606 HD13 HG12 ' A' ' 121' ' ' VAL . 1.3 mp -61.7 -42.13 93.13 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.246 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.034 -179.345 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 44.1 ttm180 -60.9 -31.58 71.08 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.045 0.45 . . . . 0.0 110.064 179.638 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -96.7 1.84 51.43 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.768 179.306 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -92.38 -83.94 0.29 Allowed 'General case' 0 CA--C 1.532 0.274 0 N-CA-C 112.037 0.384 . . . . 0.0 112.037 -178.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . 0.463 ' CG ' ' N ' ' A' ' 130' ' ' ILE . 29.0 t70 -179.74 -104.52 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.418 0 CA-C-O 121.299 0.571 . . . . 0.0 111.589 -179.461 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . 0.659 ' O ' HG22 ' A' ' 130' ' ' ILE . 73.4 mt 60.08 53.47 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.239 0 CA-C-N 115.184 -0.916 . . . . 0.0 111.022 -179.247 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 67.4 t0 -60.37 -42.31 95.55 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.854 -0.795 . . . . 0.0 108.854 178.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -174.06 -46.6 0.05 OUTLIER Glycine 0 CA--C 1.524 0.653 0 CA-C-N 115.412 -0.813 . . . . 0.0 111.085 179.548 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -62.05 -39.68 93.2 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 112.161 0.43 . . . . 0.0 112.161 -178.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 104.39 34.87 3.5 Favored Glycine 0 CA--C 1.529 0.921 0 C-N-CA 120.648 -0.787 . . . . 0.0 112.141 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -116.96 157.27 26.03 Favored 'General case' 0 N--CA 1.465 0.323 0 N-CA-C 109.876 -0.416 . . . . 0.0 109.876 178.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . 0.504 HG23 ' HB2' ' A' ' 102' ' ' ALA . 25.7 t -131.88 130.95 61.86 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.142 0 CA-C-O 120.87 0.367 . . . . 0.0 111.852 -179.695 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . 0.447 ' OD1' ' O ' ' A' ' 137' ' ' ASN . 8.3 p30 -86.28 107.59 18.02 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.387 -0.597 . . . . 0.0 109.387 178.625 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 41.1 p90 -64.89 -10.14 26.42 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 120.523 -0.471 . . . . 0.0 112.174 -178.42 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -60.14 -49.56 77.15 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 119.929 -0.708 . . . . 0.0 110.855 -179.304 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 52.6 tp10 -61.69 -43.25 99.22 Favored 'General case' 0 N--CA 1.464 0.244 0 C-N-CA 121.092 -0.243 . . . . 0.0 111.075 -179.129 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -59.05 -45.02 91.82 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 110.043 -0.354 . . . . 0.0 110.043 179.466 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . 0.417 ' O ' ' OG1' ' A' ' 146' ' ' THR . 53.9 t -64.79 -44.23 96.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.335 179.107 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . 0.511 ' O ' ' HB2' ' A' ' 147' ' ' ALA . 11.0 tp-100 -61.87 -41.37 97.78 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 108.805 -0.813 . . . . 0.0 108.805 178.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 2.6 ttt -65.36 -49.71 68.33 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.083 -0.962 . . . . 0.0 109.983 178.55 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.25 -25.38 67.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.621 -0.263 . . . . 0.0 110.936 179.834 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 146' ' ' THR . . . . . 0.417 ' OG1' ' O ' ' A' ' 142' ' ' VAL . 1.3 m -104.94 18.51 22.23 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 121.025 -0.27 . . . . 0.0 110.658 -179.707 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . 0.511 ' HB2' ' O ' ' A' ' 143' ' ' GLN . . . -109.73 70.5 0.73 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.27 179.585 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 7.7 mmtt . . . . . 0 C--O 1.22 -0.47 0 CA-C-O 118.033 -0.984 . . . . 0.0 110.438 -179.876 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 30' ' ' PHE . . . . . 0.601 ' N ' ' CD1' ' B' ' 30' ' ' PHE . 0.1 OUTLIER . . . . . 0 N--CA 1.49 1.542 0 N-CA-C 109.087 -0.708 . . . . 0.0 109.087 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 59.5 p30 -101.94 17.53 22.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.086 -179.574 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -90.43 167.51 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.968 0.413 . . . . 0.0 110.908 -179.31 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -87.74 84.69 7.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.409 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 34' ' ' MET . . . . . . . . . . . . . 54.6 mtt -63.52 -36.88 85.22 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.017 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 66.9 t0 -60.29 -40.02 88.98 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.946 -178.777 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.5 137.37 92.41 Favored Pre-proline 0 CA--C 1.536 0.428 0 C-N-CA 120.523 -0.471 . . . . 0.0 109.776 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -69.0 -22.0 36.23 Favored 'Trans proline' 0 N--CA 1.494 1.517 0 C-N-CA 122.168 1.912 . . . . 0.0 112.872 -179.153 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -62.5 -41.61 98.94 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.04 -179.511 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 91.8 m -64.81 -45.21 87.18 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.727 -0.389 . . . . 0.0 110.623 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -63.55 -40.95 98.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.443 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 18.0 mmm180 -63.94 -40.46 96.5 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.275 179.765 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -62.31 -39.99 94.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.428 179.733 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -61.31 -39.82 91.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.456 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 55.4 t -61.62 -45.93 97.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.479 -179.616 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -61.07 -46.58 90.11 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.744 -0.382 . . . . 0.0 111.164 -179.095 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 93.6 mt -65.2 -47.21 88.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 C-N-CA 120.675 -0.41 . . . . 0.0 110.911 179.785 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 47' ' ' GLN . . . . . 0.496 ' OE1' ' N ' ' A' ' 114' ' ' GLU . 77.5 mt-30 -65.78 -40.58 92.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.312 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 48.3 t -62.12 -45.54 93.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.997 0.427 . . . . 0.0 110.677 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 96.9 mm-40 -64.86 -38.29 90.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.184 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 50' ' ' PHE . . . . . 0.611 ' CD1' ' SD ' ' A' ' 124' ' ' MET . 37.2 t80 -58.5 -48.28 81.33 Favored 'General case' 0 C--N 1.332 -0.188 0 C-N-CA 120.599 -0.44 . . . . 0.0 110.464 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 51' ' ' ARG . . . . . 0.408 ' HA ' HE21 ' B' ' 54' ' ' GLN . 99.5 mtt180 -62.26 -39.71 93.81 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.067 0.46 . . . . 0.0 109.774 179.353 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 39.4 ttmt -65.76 -38.06 88.04 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.837 179.393 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 53' ' ' PHE . . . . . . . . . . . . . 67.9 t80 -57.52 -49.37 76.54 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.998 -178.328 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 54' ' ' GLN . . . . . 0.408 HE21 ' HA ' ' B' ' 51' ' ' ARG . 24.9 pt20 -68.42 -34.77 76.59 Favored 'General case' 0 C--N 1.332 -0.185 0 C-N-CA 120.205 -0.598 . . . . 0.0 111.064 -179.577 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 62.3 mttp -64.41 -39.42 93.82 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.788 -0.365 . . . . 0.0 110.576 179.016 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 25.4 mmtp -61.54 -43.48 98.78 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 120.658 -0.417 . . . . 0.0 110.053 -179.739 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 19.6 ttmm -64.27 -45.31 88.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.982 0.42 . . . . 0.0 109.977 178.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . 36.38 60.81 0.86 Allowed 'General case' 0 C--O 1.231 0.131 0 CA-C-N 115.572 -0.74 . . . . 0.0 111.058 179.622 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . -60.59 -40.21 97.55 Favored Glycine 0 CA--C 1.526 0.732 0 N-CA-C 110.847 -0.901 . . . . 0.0 110.847 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 31.0 t -89.49 127.81 35.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.753 0.311 . . . . 0.0 110.482 179.799 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 53.9 tt0 -61.68 -41.17 97.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.359 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 6.5 t . . . . . 0 C--O 1.22 -0.491 0 CA-C-O 117.998 -1.001 . . . . 0.0 110.559 179.987 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 9.7 tpt . . . . . 0 N--CA 1.49 1.537 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.412 ' O ' ' N ' ' A' ' 79' ' ' THR . 23.3 pttp -60.77 -34.69 74.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.731 -179.839 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 48.7 m-20 63.46 -77.21 0.03 OUTLIER 'General case' 0 N--CA 1.462 0.167 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.345 -179.187 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.467 ' O ' ' C ' ' A' ' 80' ' ' ASP . 7.5 m 60.55 61.17 1.79 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.714 179.731 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.467 ' C ' ' O ' ' A' ' 79' ' ' THR . 1.2 p30 -23.51 92.84 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.429 0 O-C-N 124.017 0.823 . . . . 0.0 111.85 -179.419 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 66.2 m -81.15 -5.37 57.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.474 -0.785 . . . . 0.0 110.831 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.67 ' HG2' HG21 ' A' ' 146' ' ' THR . 98.0 mt-10 -55.87 -36.75 67.94 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 -179.012 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 23.2 pt-20 -67.77 -26.29 66.04 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.306 -0.861 . . . . 0.0 111.327 179.613 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -61.85 -46.2 90.48 Favored 'General case' 0 N--CA 1.463 0.223 0 C-N-CA 120.812 -0.355 . . . . 0.0 110.768 -178.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 2.1 mt -75.2 -26.02 18.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-O 121.152 0.501 . . . . 0.0 110.161 179.637 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 80.3 ttt180 -61.49 -43.01 99.63 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.398 -0.593 . . . . 0.0 109.398 178.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -59.92 -40.5 89.09 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.642 -0.708 . . . . 0.0 109.607 179.341 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.751 ' O ' HG12 ' A' ' 91' ' ' VAL . . . -60.96 -36.01 78.26 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.737 -0.665 . . . . 0.0 109.952 179.075 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.443 ' O ' ' OD1' ' A' ' 93' ' ' ASP . 33.2 m-85 -71.34 -42.69 68.22 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.503 -0.479 . . . . 0.0 110.264 178.575 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -44.08 -36.15 2.44 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.474 -178.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.751 HG12 ' O ' ' A' ' 88' ' ' ALA . 8.7 p -55.84 -30.82 28.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 C-N-CA 120.368 -0.533 . . . . 0.0 110.533 -179.448 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 40.2 m-85 -96.31 -29.89 13.73 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 179.764 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.564 ' N ' ' OD1' ' A' ' 93' ' ' ASP . 0.0 OUTLIER -86.59 62.69 7.56 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-O 121.437 0.637 . . . . 0.0 109.59 179.814 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 26.6 pttm -71.41 -20.7 62.09 Favored 'General case' 0 C--N 1.33 -0.271 0 O-C-N 121.919 -0.488 . . . . 0.0 111.532 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -75.08 -26.21 59.16 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.448 179.691 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 70.12 25.22 75.91 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.776 -0.93 . . . . 0.0 110.776 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 53.2 p-10 -92.3 -3.92 54.72 Favored 'General case' 0 C--N 1.331 -0.229 0 C-N-CA 120.903 -0.319 . . . . 0.0 110.962 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 95.04 -2.8 66.39 Favored Glycine 0 CA--C 1.531 1.04 0 C-N-CA 121.031 -0.604 . . . . 0.0 111.688 179.707 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.466 ' CD1' ' N ' ' A' ' 99' ' ' TYR . 10.9 m-85 -125.12 159.04 32.38 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 121.37 0.605 . . . . 0.0 111.823 -178.636 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.534 HG22 ' OD1' ' A' ' 93' ' ' ASP . 0.2 OUTLIER -129.51 143.22 41.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 N-CA-C 107.633 -1.247 . . . . 0.0 107.633 178.169 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 68.3 m -61.32 134.03 56.51 Favored 'General case' 0 C--N 1.323 -0.581 0 C-N-CA 119.484 -0.886 . . . . 0.0 109.933 -179.425 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.667 ' HB2' HG23 ' A' ' 136' ' ' VAL . . . -62.67 -38.65 91.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.952 0.406 . . . . 0.0 110.708 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -59.75 -40.78 89.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.754 -179.173 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -64.42 -39.86 94.66 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.677 -0.238 . . . . 0.0 110.866 179.431 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 51.0 tp -60.02 -47.12 87.16 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.652 -0.419 . . . . 0.0 110.17 -179.11 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.531 ' O ' HG23 ' A' ' 110' ' ' THR . 6.2 tmm_? -58.29 -49.35 77.46 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.632 -0.427 . . . . 0.0 110.92 -178.826 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 75.3 t60 -60.29 -47.43 86.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.077 0.465 . . . . 0.0 111.124 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.449 HG22 HD12 ' A' ' 112' ' ' LEU . 55.7 t -60.62 -36.05 67.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-N 115.523 -0.762 . . . . 0.0 111.468 -179.681 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . 0.485 ' N ' ' SD ' ' A' ' 109' ' ' MET . 0.0 OUTLIER -81.29 -20.94 39.77 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 111.962 0.356 . . . . 0.0 111.962 -179.361 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.531 HG23 ' O ' ' A' ' 106' ' ' ARG . 55.5 p -103.85 -22.29 13.53 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 120.288 -0.565 . . . . 0.0 110.973 -179.246 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 29.5 t-20 -108.98 -47.93 3.36 Favored 'General case' 0 N--CA 1.464 0.27 0 N-CA-C 112.502 0.556 . . . . 0.0 112.502 -178.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.481 ' O ' ' O ' ' A' ' 113' ' ' GLY . 90.6 mt -94.69 143.35 26.51 Favored 'General case' 0 N--CA 1.465 0.323 0 N-CA-C 112.411 0.523 . . . . 0.0 112.411 -178.121 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . 0.546 ' O ' ' C ' ' A' ' 114' ' ' GLU . . . 54.24 124.56 0.01 OUTLIER Glycine 0 CA--C 1.524 0.622 0 CA-C-N 115.035 -0.984 . . . . 0.0 111.699 178.831 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . 0.546 ' C ' ' O ' ' A' ' 113' ' ' GLY . 45.8 mp0 14.28 86.16 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.673 0 O-C-N 123.985 0.462 . . . . 0.0 111.134 179.211 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -47.52 132.53 13.61 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.177 0.513 . . . . 0.0 111.626 -177.643 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.652 HD12 ' HB3' ' A' ' 120' ' ' GLU . 4.3 mm? -91.01 159.0 16.37 Favored 'General case' 0 C--O 1.231 0.117 0 N-CA-C 108.238 -1.023 . . . . 0.0 108.238 177.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . 0.453 ' OG1' ' OE1' ' A' ' 120' ' ' GLU . 72.3 p -93.4 172.07 8.51 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 120.512 -0.475 . . . . 0.0 110.114 179.416 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -59.06 -41.72 88.62 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.029 -179.332 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -62.81 -42.32 99.67 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.943 -0.303 . . . . 0.0 110.904 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . 0.652 ' HB3' HD12 ' A' ' 116' ' ' LEU . 0.7 OUTLIER -67.71 -46.88 70.95 Favored 'General case' 0 C--N 1.332 -0.192 0 C-N-CA 120.722 -0.391 . . . . 0.0 110.764 179.137 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.617 HG12 HD13 ' A' ' 125' ' ' ILE . 68.0 t -63.58 -42.52 96.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.104 -179.701 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -56.03 -39.37 71.85 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.006 -0.678 . . . . 0.0 109.476 -179.006 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 53.3 tp10 -63.23 -38.1 89.86 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.238 -0.652 . . . . 0.0 109.238 178.169 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . 0.423 ' CG ' ' CZ ' ' B' ' 50' ' ' PHE . 96.1 mtp -70.08 -39.53 75.53 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.75 179.821 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . 0.617 HD13 HG12 ' A' ' 121' ' ' VAL . 1.2 mp -59.47 -38.48 75.42 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.138 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.654 -179.585 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 83.8 mtp180 -67.83 -26.61 66.14 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.866 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 -96.14 -11.32 26.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.873 179.69 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.664 ' HB1' HG21 ' A' ' 136' ' ' VAL . . . -77.68 -66.96 0.77 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.65 -178.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . 0.483 ' CG ' ' O ' ' A' ' 128' ' ' ALA . 13.0 m-20 155.76 -99.32 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.862 0 O-C-N 123.428 0.455 . . . . 0.0 110.774 179.797 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . 0.699 HG22 ' N ' ' A' ' 131' ' ' ASP . 62.2 mt 61.17 -118.65 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.202 -179.208 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . 0.699 ' N ' HG22 ' A' ' 130' ' ' ILE . 11.0 t0 76.09 -26.28 0.19 Allowed 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.168 -178.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . 0.495 ' H ' ' C ' ' A' ' 130' ' ' ILE . . . 176.8 -66.63 0.09 OUTLIER Glycine 0 CA--C 1.524 0.63 0 N-CA-C 110.421 -1.072 . . . . 0.0 110.421 179.873 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -47.1 -36.94 8.88 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 121.149 -0.22 . . . . 0.0 110.849 -178.126 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 74.29 28.39 64.07 Favored Glycine 0 CA--C 1.523 0.56 0 C-N-CA 120.467 -0.873 . . . . 0.0 111.671 179.062 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 83.3 mm-40 -120.76 149.98 41.69 Favored 'General case' 0 CA--C 1.52 -0.193 0 N-CA-C 108.877 -0.786 . . . . 0.0 108.877 178.225 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . 0.667 HG23 ' HB2' ' A' ' 102' ' ' ALA . 43.0 t -127.98 134.77 64.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-O 121.13 0.491 . . . . 0.0 112.195 -178.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . 0.434 ' OD1' ' O ' ' A' ' 137' ' ' ASN . 35.3 p-10 -93.72 111.21 22.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.59 -0.732 . . . . 0.0 109.334 178.649 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 43.1 p90 -61.41 -10.97 8.53 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 120.495 -0.482 . . . . 0.0 112.032 -178.61 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -58.9 -50.19 74.97 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 119.794 -0.762 . . . . 0.0 110.123 -179.259 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 52.6 tp10 -60.4 -43.14 96.97 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 121.038 -0.265 . . . . 0.0 110.789 -179.371 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -60.66 -42.49 97.14 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 120.26 -0.576 . . . . 0.0 110.2 179.473 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 47.5 t -63.68 -40.84 90.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 C-N-CA 120.639 -0.424 . . . . 0.0 110.477 178.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . 0.414 ' O ' ' CB ' ' A' ' 147' ' ' ALA . 96.8 mt-30 -62.3 -40.27 95.74 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.47 -0.566 . . . . 0.0 109.47 179.215 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 71.2 mtp -59.71 -44.19 93.82 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 178.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 55.8 mtt -72.42 -18.61 61.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.356 -0.838 . . . . 0.0 111.864 -179.586 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 146' ' ' THR . . . . . 0.67 HG21 ' HG2' ' A' ' 82' ' ' GLU . 67.1 p -118.2 16.87 14.04 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-O 120.624 0.25 . . . . 0.0 111.033 -179.29 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . 0.414 ' CB ' ' O ' ' A' ' 143' ' ' GLN . . . -126.64 49.72 2.01 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.009 179.322 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.22 -0.474 0 CA-C-O 118.029 -0.986 . . . . 0.0 110.546 -179.764 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 30' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 . . . . . 0 N--CA 1.489 1.517 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 53.75 43.23 31.33 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.864 179.689 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . 0.415 HD13 HG21 ' B' ' 32' ' ' ILE . 4.2 pt -120.71 162.47 19.36 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.222 0 N-CA-C 109.798 -0.445 . . . . 0.0 109.798 179.814 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -81.86 80.88 8.04 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.511 -0.552 . . . . 0.0 109.511 179.11 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 34' ' ' MET . . . . . 0.458 ' HE2' HD11 ' A' ' 112' ' ' LEU . 85.0 mtp -68.15 -29.63 68.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.001 -179.115 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 55.1 p30 -76.41 -0.16 21.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.309 -179.016 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -89.05 116.91 67.6 Favored Pre-proline 0 CA--C 1.539 0.536 0 C-N-CA 120.785 -0.366 . . . . 0.0 110.202 179.565 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 82.6 Cg_exo -50.01 -28.67 19.54 Favored 'Trans proline' 0 N--CA 1.497 1.707 0 C-N-CA 121.723 1.615 . . . . 0.0 112.107 179.274 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -60.99 -39.87 91.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.667 -179.501 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 92.6 m -63.34 -42.15 98.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.822 0.344 . . . . 0.0 110.219 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 53.9 tp10 -60.64 -43.47 97.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 109.978 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 18.1 mmm180 -62.73 -40.69 97.98 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.781 -0.368 . . . . 0.0 110.072 179.729 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -62.45 -40.93 98.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.343 179.571 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -61.81 -41.92 98.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.467 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 44' ' ' VAL . . . . . 0.468 HG22 ' OE1' ' A' ' 114' ' ' GLU . 61.0 t -63.89 -45.25 97.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.817 -179.441 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -60.75 -43.67 97.66 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.919 -0.313 . . . . 0.0 111.44 -178.741 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 46' ' ' ILE . . . . . 0.439 HG21 ' CE ' ' A' ' 109' ' ' MET . 91.9 mt -63.0 -47.03 94.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-O 121.004 0.43 . . . . 0.0 110.621 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 47' ' ' GLN . . . . . 0.517 ' NE2' ' O ' ' A' ' 113' ' ' GLY . 84.5 mt-30 -65.13 -40.39 94.37 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.791 -0.641 . . . . 0.0 111.465 -179.4 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 48.4 t -60.7 -46.4 90.53 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.501 -179.366 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -65.55 -38.63 90.15 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.67 -0.493 . . . . 0.0 109.67 179.38 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 50' ' ' PHE . . . . . 0.423 ' CZ ' ' CG ' ' A' ' 124' ' ' MET . 53.0 t80 -60.28 -39.71 87.85 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.714 179.877 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 44.6 ttm180 -58.51 -42.34 87.46 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 110.088 -0.338 . . . . 0.0 110.088 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 40.2 ttmt -60.84 -39.7 90.05 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.024 0.44 . . . . 0.0 110.032 179.478 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 53' ' ' PHE . . . . . . . . . . . . . 55.2 t80 -59.59 -38.97 82.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.648 -179.74 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 54' ' ' GLN . . . . . 0.421 ' OE1' ' CE2' ' B' ' 50' ' ' PHE . 26.1 mt-30 -60.92 -38.85 87.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.653 -179.488 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 2.3 mmmm -60.61 -39.31 87.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.54 -179.72 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 4.8 mmtp -60.22 -41.99 94.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.611 179.662 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 64.3 tttm -60.72 -43.74 97.48 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.892 -0.41 . . . . 0.0 109.892 179.814 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -99.73 46.11 0.97 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.42 179.77 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . -60.38 -41.3 98.44 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 110.392 -1.083 . . . . 0.0 110.392 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 83.2 p -142.43 129.42 20.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.744 0.306 . . . . 0.0 110.244 179.139 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -67.17 -39.39 86.45 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.783 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 62.0 m . . . . . 0 C--O 1.221 -0.423 0 CA-C-O 117.952 -1.023 . . . . 0.0 110.626 -179.92 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 8.4 mtm . . . . . 0 N--CA 1.49 1.543 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 63.6 pttt -67.57 153.15 44.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.663 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 55.1 t0 54.18 63.41 2.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.139 -0.482 . . . . 0.0 109.865 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER 177.91 16.19 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.416 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.727 179.667 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 65.9 t0 -107.93 127.07 53.42 Favored 'General case' 0 C--O 1.226 -0.146 0 CA-C-O 120.857 0.361 . . . . 0.0 111.02 -179.21 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 68.0 m -80.9 -5.67 57.69 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.262 179.483 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -57.35 -39.21 75.49 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -69.42 -31.88 70.5 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.693 -0.685 . . . . 0.0 111.217 179.283 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -61.79 -43.71 98.31 Favored 'General case' 0 C--O 1.233 0.236 0 C-N-CA 120.415 -0.514 . . . . 0.0 110.519 -179.298 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 3.1 mm -70.54 -31.41 46.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.1 -0.5 . . . . 0.0 109.814 178.75 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 41.8 ttm180 -62.49 -37.93 87.91 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.593 -0.731 . . . . 0.0 110.287 179.106 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -58.45 -37.36 75.28 Favored 'General case' 0 C--N 1.334 -0.103 0 CA-C-N 116.045 -0.525 . . . . 0.0 109.802 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -59.74 -32.24 70.37 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.336 179.134 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.442 ' O ' ' OD1' ' A' ' 93' ' ' ASP . 72.4 m-85 -77.88 -38.18 46.44 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 120.611 -0.436 . . . . 0.0 110.321 178.035 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 1.8 mpt_? -47.96 -29.15 3.17 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.655 -179.425 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 48.4 t -60.06 -38.93 78.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-O 120.929 0.395 . . . . 0.0 110.161 179.255 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.405 ' CD1' ' OE1' ' A' ' 104' ' ' GLU . 22.5 m-85 -89.0 -24.96 22.25 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.336 179.769 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.568 ' N ' ' OD1' ' A' ' 93' ' ' ASP . 0.0 OUTLIER -85.84 62.95 7.77 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-O 121.12 0.486 . . . . 0.0 110.394 -179.475 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 16.6 ptpt -69.8 -24.21 63.45 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.863 -0.335 . . . . 0.0 111.883 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . 0.527 ' OD1' ' N ' ' A' ' 96' ' ' GLY . 55.0 p-10 -72.8 -25.47 61.16 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.764 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . 0.527 ' N ' ' OD1' ' A' ' 95' ' ' ASP . . . 69.26 25.45 75.44 Favored Glycine 0 CA--C 1.526 0.75 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 57.5 t30 -94.01 -7.67 42.11 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.658 0.266 . . . . 0.0 110.963 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 95.83 8.2 58.29 Favored Glycine 0 CA--C 1.529 0.932 0 N-CA-C 111.091 -0.804 . . . . 0.0 111.091 -179.681 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.455 ' CD1' ' N ' ' A' ' 99' ' ' TYR . 12.6 m-85 -133.5 156.39 47.85 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-O 121.168 0.509 . . . . 0.0 111.992 -179.11 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.516 HG22 ' OD1' ' A' ' 93' ' ' ASP . 0.1 OUTLIER -130.7 143.51 40.69 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.152 0 N-CA-C 107.7 -1.222 . . . . 0.0 107.7 177.896 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 41.4 t -59.47 135.9 57.81 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 119.917 -0.713 . . . . 0.0 110.295 -179.397 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.532 ' HB2' HG23 ' A' ' 136' ' ' VAL . . . -63.71 -37.75 88.52 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.026 0.441 . . . . 0.0 110.923 179.768 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -59.33 -41.71 89.75 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.724 -0.671 . . . . 0.0 112.777 -177.764 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.663 ' O ' HG23 ' A' ' 108' ' ' VAL . 0.6 OUTLIER -67.83 -29.43 68.58 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.162 -0.615 . . . . 0.0 110.65 -179.371 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 23.3 tp -62.56 -48.44 79.45 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.057 -0.52 . . . . 0.0 109.638 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 8.5 tmm_? -58.43 -50.14 74.76 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.617 -179.092 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . 0.546 ' ND1' ' OD1' ' A' ' 111' ' ' ASN . 62.3 t60 -61.13 -47.0 88.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.411 0.624 . . . . 0.0 110.619 179.704 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.663 HG23 ' O ' ' A' ' 104' ' ' GLU . 56.3 t -60.79 -38.3 78.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 115.038 -0.983 . . . . 0.0 111.181 -179.342 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . 0.416 ' N ' ' SD ' ' A' ' 109' ' ' MET . 0.0 OUTLIER -76.01 -25.78 56.05 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.625 -179.538 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 58.7 p -104.53 -17.22 14.8 Favored 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 120.513 -0.475 . . . . 0.0 112.201 -178.303 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . 0.546 ' OD1' ' ND1' ' A' ' 107' ' ' HIS . 26.4 m120 -113.1 -49.49 2.92 Favored 'General case' 0 N--CA 1.469 0.52 0 N-CA-C 113.27 0.841 . . . . 0.0 113.27 -178.478 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.491 ' O ' ' O ' ' A' ' 113' ' ' GLY . 89.5 mt -88.14 148.68 24.31 Favored 'General case' 0 N--CA 1.467 0.377 0 C-N-CA 120.86 -0.336 . . . . 0.0 111.445 -178.608 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . 0.562 ' O ' ' NE2' ' B' ' 47' ' ' GLN . . . 41.23 101.41 0.01 OUTLIER Glycine 0 C--N 1.336 0.567 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 179.439 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . 0.504 ' O ' ' O ' ' A' ' 113' ' ' GLY . 97.6 mt-10 52.26 165.3 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 117.096 0.448 . . . . 0.0 110.325 179.53 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -124.02 118.77 27.73 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.835 -0.346 . . . . 0.0 111.089 -179.312 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.607 HD12 ' HB3' ' A' ' 120' ' ' GLU . 4.5 mm? -85.92 155.08 21.07 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 108.665 -0.865 . . . . 0.0 108.665 178.41 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . 0.441 ' OG1' ' OE1' ' A' ' 120' ' ' GLU . 70.7 p -90.49 171.93 9.07 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.635 -0.426 . . . . 0.0 109.933 179.425 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -58.35 -42.64 87.36 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.875 -0.33 . . . . 0.0 110.653 -179.568 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -61.84 -40.3 94.81 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.953 -179.548 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . 0.607 ' HB3' HD12 ' A' ' 116' ' ' LEU . 0.5 OUTLIER -71.68 -40.74 69.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.049 0.452 . . . . 0.0 110.423 178.433 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.417 HG23 ' O ' ' A' ' 117' ' ' THR . 53.2 t -65.24 -41.5 91.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.085 179.784 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 68.2 t0 -59.23 -42.02 90.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.153 -179.116 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -61.74 -37.14 83.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.387 0.613 . . . . 0.0 110.363 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . 0.596 ' SD ' ' CD1' ' B' ' 50' ' ' PHE . 2.4 mmm -77.28 -33.05 55.9 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.11 -0.95 . . . . 0.0 110.225 179.314 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . 0.594 HG13 HD11 ' A' ' 130' ' ' ILE . 0.1 OUTLIER -66.56 -36.52 77.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.145 -178.428 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 5.9 tpt180 -63.23 -63.52 1.17 Allowed 'General case' 0 C--N 1.332 -0.157 0 C-N-CA 120.407 -0.517 . . . . 0.0 110.01 -179.152 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -59.76 -8.6 2.18 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.664 -178.734 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.639 ' HB1' ' CG2' ' A' ' 136' ' ' VAL . . . -74.05 -69.18 0.46 Allowed 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.858 -0.337 . . . . 0.0 111.138 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . 0.465 ' CB ' ' O ' ' A' ' 128' ' ' ALA . 6.9 m-20 157.67 -88.95 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.679 0 CA-C-O 121.038 0.447 . . . . 0.0 110.703 179.847 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . 0.692 HG22 ' N ' ' A' ' 131' ' ' ASP . 73.7 mt 61.55 -112.86 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 115.443 -0.799 . . . . 0.0 111.615 -179.638 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . 0.692 ' N ' HG22 ' A' ' 130' ' ' ILE . 13.1 t0 73.78 -12.52 0.84 Allowed 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.073 -178.748 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . 0.474 ' H ' ' C ' ' A' ' 130' ' ' ILE . . . 142.12 -46.43 0.88 Allowed Glycine 0 CA--C 1.523 0.546 0 N-CA-C 110.612 -0.995 . . . . 0.0 110.612 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -56.36 -36.79 69.19 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 110.209 -0.293 . . . . 0.0 110.209 -178.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 73.04 39.11 54.76 Favored Glycine 0 CA--C 1.523 0.534 0 C-N-CA 120.511 -0.852 . . . . 0.0 111.95 178.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 16.7 pt20 -126.1 142.91 51.32 Favored 'General case' 0 CA--C 1.517 -0.323 0 CA-C-O 121.234 0.54 . . . . 0.0 110.346 178.627 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . 0.639 ' CG2' ' HB1' ' A' ' 128' ' ' ALA . 55.3 t -129.7 134.72 62.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 115.07 -0.968 . . . . 0.0 112.186 -178.572 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 55.3 t-20 -94.02 109.36 21.11 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.029 -1.1 . . . . 0.0 108.029 177.835 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . 0.482 ' CE2' ' OD2' ' A' ' 93' ' ' ASP . 40.5 p90 -61.62 -9.93 7.18 Favored 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 120.558 -0.457 . . . . 0.0 112.096 -178.234 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 75.4 mm-40 -59.84 -50.15 74.91 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 119.661 -0.816 . . . . 0.0 110.215 -179.452 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -61.18 -40.42 93.86 Favored 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 120.863 -0.335 . . . . 0.0 110.847 -179.36 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -61.4 -45.44 94.33 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 120.598 -0.441 . . . . 0.0 110.041 179.102 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . 0.448 ' O ' ' OG1' ' A' ' 146' ' ' THR . 56.1 t -63.8 -41.17 91.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.508 179.15 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . 0.496 ' NE2' ' O ' ' A' ' 143' ' ' GLN . 1.2 tm0? -56.8 -43.29 80.79 Favored 'General case' 0 N--CA 1.455 -0.212 0 N-CA-C 109.177 -0.675 . . . . 0.0 109.177 -179.757 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 73.0 mtm -59.64 -40.78 88.76 Favored 'General case' 0 N--CA 1.455 -0.211 0 N-CA-C 108.807 -0.812 . . . . 0.0 108.807 179.13 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 66.2 mtt -73.17 -19.11 61.18 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.663 -0.699 . . . . 0.0 111.596 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 146' ' ' THR . . . . . 0.448 ' OG1' ' O ' ' A' ' 142' ' ' VAL . 0.2 OUTLIER -94.92 23.76 5.3 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.939 -0.304 . . . . 0.0 110.796 -179.843 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -119.04 76.49 1.11 Allowed 'General case' 0 C--N 1.332 -0.181 0 N-CA-C 109.898 -0.408 . . . . 0.0 109.898 179.349 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.22 -0.482 0 CA-C-O 118.017 -0.992 . . . . 0.0 110.584 -179.624 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 30' ' ' PHE . . . . . . . . . . . . . 22.2 m-85 . . . . . 0 N--CA 1.489 1.498 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 55.99 33.34 21.61 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.2 0.524 . . . . 0.0 110.064 -179.339 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 58.9 mt -126.37 126.04 68.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.489 179.83 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -76.12 128.69 35.49 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.802 -179.669 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 34' ' ' MET . . . . . . . . . . . . . 62.9 mtt -101.77 -8.47 21.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.624 179.616 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -62.49 -39.93 95.04 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.741 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -66.83 132.56 93.96 Favored Pre-proline 0 CA--C 1.537 0.454 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.301 -179.813 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -70.88 -22.35 27.08 Favored 'Trans proline' 0 N--CA 1.492 1.434 0 C-N-CA 122.017 1.811 . . . . 0.0 112.384 -179.774 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -62.98 -38.1 89.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.989 -179.523 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 99.1 m -59.79 -45.16 93.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.527 -0.306 . . . . 0.0 110.466 -179.492 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -61.73 -40.04 93.67 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.728 -0.471 . . . . 0.0 109.728 179.434 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.57 -43.26 89.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.533 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -61.7 -40.76 96.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.47 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -61.79 -41.11 97.31 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.519 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 62.7 t -63.17 -44.76 99.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.292 -179.762 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -60.75 -44.89 96.13 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.484 -0.325 . . . . 0.0 111.272 -178.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 97.0 mt -64.4 -46.91 91.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 C-N-CA 120.594 -0.442 . . . . 0.0 110.267 179.774 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 47' ' ' GLN . . . . . 0.562 ' NE2' ' O ' ' A' ' 113' ' ' GLY . 33.9 mt-30 -64.96 -41.48 95.44 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.512 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 48.3 t -61.75 -46.42 89.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.998 0.427 . . . . 0.0 110.337 -179.836 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 72.1 tp60 -65.78 -39.24 90.79 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.482 179.813 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 50' ' ' PHE . . . . . 0.596 ' CD1' ' SD ' ' A' ' 124' ' ' MET . 38.5 t80 -59.0 -47.06 86.56 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.961 -179.623 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 51' ' ' ARG . . . . . 0.403 ' HA ' HE21 ' B' ' 54' ' ' GLN . 99.5 mtt180 -60.31 -41.09 92.76 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.619 -0.432 . . . . 0.0 110.077 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 64.7 mmtt -65.74 -39.43 91.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.763 179.369 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 53' ' ' PHE . . . . . . . . . . . . . 93.0 t80 -60.07 -49.79 76.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.435 -179.019 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 54' ' ' GLN . . . . . 0.403 HE21 ' HA ' ' B' ' 51' ' ' ARG . 23.0 pt20 -71.27 -26.62 62.96 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.693 -0.403 . . . . 0.0 110.671 179.87 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -61.92 -41.86 98.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.153 179.599 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 64.2 tttm -60.03 -44.03 94.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.594 -179.75 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 64.7 tttp -60.55 -44.27 96.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.818 -179.691 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -95.37 15.98 18.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.605 -179.189 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . -60.18 -44.54 97.29 Favored Glycine 0 CA--C 1.526 0.73 0 N-CA-C 110.757 -0.937 . . . . 0.0 110.757 -179.701 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 50.2 m 41.47 41.15 1.49 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.586 0.231 . . . . 0.0 110.945 179.195 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 20.5 pt20 -64.33 151.19 44.53 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.858 -0.337 . . . . 0.0 110.79 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 2.8 m . . . . . 0 C--O 1.221 -0.43 0 CA-C-O 117.944 -1.027 . . . . 0.0 110.68 -179.977 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 95.7 mmm . . . . . 0 N--CA 1.489 1.496 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.408 ' O ' ' OD1' ' A' ' 78' ' ' ASP . 62.6 pttt -132.1 28.89 4.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.837 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.408 ' OD1' ' O ' ' A' ' 77' ' ' LYS . 98.7 m-20 -138.24 111.85 8.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.21 179.412 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.401 ' O ' ' CB ' ' A' ' 80' ' ' ASP . 24.9 m -85.76 -56.77 3.33 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 120.857 -0.337 . . . . 0.0 110.431 -179.697 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.401 ' CB ' ' O ' ' A' ' 79' ' ' THR . 10.8 t0 75.58 142.9 0.07 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.163 179.861 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 87.3 p -77.53 -7.36 56.16 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.89 179.807 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.692 ' CG ' HG21 ' A' ' 146' ' ' THR . 95.5 mt-10 -54.24 -35.9 62.97 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 120.423 -0.511 . . . . 0.0 109.711 -179.32 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 25.5 pt-20 -66.51 -32.9 74.54 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.894 179.454 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 53.5 tp10 -60.95 -47.61 85.62 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-O 121.072 0.463 . . . . 0.0 110.214 -179.102 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 4.4 mm -66.73 -35.06 73.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.122 178.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.574 ' CZ ' ' NH2' ' A' ' 90' ' ' ARG . 79.8 ttt180 -60.59 -38.91 86.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.108 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 70.9 mm-40 -58.58 -37.72 76.37 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.868 0.366 . . . . 0.0 110.022 -179.802 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -59.85 -35.2 74.26 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.278 179.036 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 72.7 m-85 -79.18 -38.15 36.55 Favored 'General case' 0 CA--C 1.531 0.216 0 C-N-CA 120.845 -0.342 . . . . 0.0 110.599 178.529 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.574 ' NH2' ' CZ ' ' A' ' 86' ' ' ARG . 95.2 mtt-85 -51.22 -28.43 11.44 Favored 'General case' 0 N--CA 1.463 0.21 0 C-N-CA 120.716 -0.394 . . . . 0.0 110.704 -178.573 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 55.6 t -60.83 -38.19 78.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 N-CA-C 109.798 -0.445 . . . . 0.0 109.798 178.229 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -85.28 -23.42 28.17 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.778 -0.647 . . . . 0.0 111.223 -179.694 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 58.9 t0 -89.89 71.76 7.56 Favored 'General case' 0 N--CA 1.463 0.203 0 C-N-CA 120.635 -0.426 . . . . 0.0 110.268 179.257 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 20.5 ptmt -70.5 -26.73 63.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.966 0.412 . . . . 0.0 110.961 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -71.14 -25.41 62.56 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.769 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 68.32 26.78 74.06 Favored Glycine 0 CA--C 1.527 0.803 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 58.5 t30 -91.66 -5.12 54.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.696 0.284 . . . . 0.0 110.868 -179.753 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . 0.403 ' O ' ' CE2' ' A' ' 138' ' ' TYR . . . 98.3 -7.78 62.19 Favored Glycine 0 CA--C 1.527 0.817 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 -179.715 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.51 ' CD1' ' N ' ' A' ' 99' ' ' TYR . 9.4 m-85 -120.73 160.89 22.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.049 0.452 . . . . 0.0 111.096 -178.858 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.427 HD13 HG21 ' A' ' 100' ' ' ILE . 0.1 OUTLIER -131.94 146.48 33.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 N-CA-C 108.131 -1.063 . . . . 0.0 108.131 178.492 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 41.1 t -59.68 133.03 55.72 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 119.643 -0.823 . . . . 0.0 109.712 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.519 ' HB2' HG23 ' A' ' 136' ' ' VAL . . . -65.35 -38.64 90.7 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.028 0.442 . . . . 0.0 111.214 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -59.19 -40.82 86.95 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.795 -0.639 . . . . 0.0 112.134 -177.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.716 ' O ' HG23 ' A' ' 108' ' ' VAL . 4.7 pt-20 -69.78 -30.72 68.35 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.388 -0.525 . . . . 0.0 110.634 -179.457 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 2.6 tt -61.41 -48.72 79.9 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.349 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 6.0 tmm_? -57.62 -48.31 79.79 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.541 -0.464 . . . . 0.0 110.014 -179.198 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . 0.484 ' O ' ' N ' ' A' ' 111' ' ' ASN . 85.7 t60 -61.28 -45.22 95.4 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.337 0.589 . . . . 0.0 110.308 179.617 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.716 HG23 ' O ' ' A' ' 104' ' ' GLU . 61.2 t -61.6 -38.43 80.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.167 -0.924 . . . . 0.0 111.038 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . 0.521 ' N ' ' SD ' ' A' ' 109' ' ' MET . 0.0 OUTLIER -76.93 -28.85 55.4 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.707 -0.679 . . . . 0.0 112.217 -179.705 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.428 ' CG2' HG21 ' A' ' 121' ' ' VAL . 49.5 p -102.83 -15.92 16.08 Favored 'General case' 0 C--N 1.323 -0.557 0 C-N-CA 120.339 -0.544 . . . . 0.0 111.613 -178.286 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . 0.484 ' N ' ' O ' ' A' ' 107' ' ' HIS . 59.5 t30 -111.19 -50.39 2.94 Favored 'General case' 0 N--CA 1.468 0.427 0 N-CA-C 112.71 0.633 . . . . 0.0 112.71 -178.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 91.8 mt -90.23 167.23 12.85 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-O 120.74 0.305 . . . . 0.0 111.352 -179.198 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 58.61 -117.51 10.95 Favored Glycine 0 C--N 1.335 0.48 0 N-CA-C 111.482 -0.647 . . . . 0.0 111.482 178.677 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . 0.557 ' H ' ' CD ' ' B' ' 47' ' ' GLN . 6.0 mm-40 -96.9 168.49 10.46 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.26 -0.645 . . . . 0.0 109.26 178.499 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 27.0 mmtp -103.97 92.31 4.34 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.403 -179.207 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.569 ' N ' HD22 ' A' ' 116' ' ' LEU . 3.6 mm? -79.61 150.38 31.03 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 108.406 -0.961 . . . . 0.0 108.406 178.174 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . 0.479 ' OG1' ' OE1' ' A' ' 120' ' ' GLU . 19.6 p -94.96 178.65 5.49 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 120.361 -0.536 . . . . 0.0 109.564 179.402 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -60.28 -39.51 87.14 Favored 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 120.703 -0.399 . . . . 0.0 110.414 -179.791 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -62.21 -43.35 99.04 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.045 -179.812 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . 0.547 ' HB3' HD12 ' A' ' 116' ' ' LEU . 5.7 mp0 -71.59 -44.52 64.33 Favored 'General case' 0 N--CA 1.455 -0.206 0 C-N-CA 120.666 -0.414 . . . . 0.0 111.21 179.106 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.707 HG12 HD13 ' A' ' 125' ' ' ILE . 73.5 t -65.21 -41.86 92.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.332 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -51.95 -42.7 63.07 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.568 -0.453 . . . . 0.0 110.334 -178.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 -63.31 -33.47 75.58 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.077 179.202 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 93.6 mtp -74.46 -36.93 63.35 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.042 179.326 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . 0.707 HD13 HG12 ' A' ' 121' ' ' VAL . 1.1 mp -60.3 -42.58 91.16 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.165 0 CA-C-N 115.613 -0.721 . . . . 0.0 111.608 -179.028 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 12.4 ttt85 -60.26 -63.96 1.12 Allowed 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 120.179 -0.609 . . . . 0.0 110.309 -179.236 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . 0.442 ' CD ' ' SD ' ' A' ' 144' ' ' MET . 57.6 mt-10 -61.39 -8.39 3.97 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.879 -0.601 . . . . 0.0 111.68 -178.513 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.585 ' HB1' ' CG2' ' A' ' 136' ' ' VAL . . . -75.23 -71.53 0.36 Allowed 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.84 -0.344 . . . . 0.0 110.897 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . 0.478 ' CG ' ' N ' ' A' ' 130' ' ' ILE . 2.9 t70 160.97 -87.06 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.407 0 CA-C-O 121.343 0.592 . . . . 0.0 110.684 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . 0.478 ' N ' ' CG ' ' A' ' 129' ' ' ASP . 0.7 OUTLIER 34.36 40.24 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 114.859 -1.064 . . . . 0.0 111.192 -179.148 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -61.23 -38.08 85.36 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.121 -0.696 . . . . 0.0 109.121 178.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 168.17 28.72 0.02 OUTLIER Glycine 0 CA--C 1.524 0.624 0 N-CA-C 110.254 -1.138 . . . . 0.0 110.254 179.681 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -131.69 -17.98 2.81 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-O 120.551 0.215 . . . . 0.0 111.388 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 72.55 30.86 63.67 Favored Glycine 0 CA--C 1.53 0.998 0 C-N-CA 121.059 -0.591 . . . . 0.0 112.486 179.18 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . 0.414 ' O ' ' OD2' ' A' ' 129' ' ' ASP . 11.8 pt20 -128.84 148.45 50.89 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-O 121.046 0.451 . . . . 0.0 110.908 179.159 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . 0.585 ' CG2' ' HB1' ' A' ' 128' ' ' ALA . 49.2 t -129.53 134.43 63.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.411 -0.813 . . . . 0.0 112.081 -179.326 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . 0.433 ' OD1' ' OE1' ' A' ' 139' ' ' GLU . 60.5 t30 -93.38 112.05 23.87 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 108.716 -0.846 . . . . 0.0 108.716 178.659 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . 0.444 ' CE1' ' OE2' ' A' ' 139' ' ' GLU . 38.4 p90 -66.22 -10.16 39.15 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 112.782 0.66 . . . . 0.0 112.782 -178.07 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . 0.444 ' OE2' ' CE1' ' A' ' 138' ' ' TYR . 4.9 mp0 -59.26 -51.43 69.98 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.102 -0.639 . . . . 0.0 111.005 -179.87 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 76.0 mm-40 -61.66 -40.29 94.42 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 120.827 -0.349 . . . . 0.0 110.9 -179.182 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -59.97 -45.51 92.44 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.888 -0.412 . . . . 0.0 109.888 178.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 53.5 t -64.19 -43.74 97.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 C-N-CA 120.787 -0.365 . . . . 0.0 110.792 179.289 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -63.29 -42.58 99.08 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.569 -0.452 . . . . 0.0 109.872 179.634 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 144' ' ' MET . . . . . 0.442 ' SD ' ' CD ' ' A' ' 127' ' ' GLU . 3.2 ttp -70.37 -52.04 25.44 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.093 178.847 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 83.0 mtp -62.74 -39.74 95.03 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.144 -0.48 . . . . 0.0 112.279 -179.158 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 146' ' ' THR . . . . . 0.692 HG21 ' CG ' ' A' ' 82' ' ' GLU . 63.4 m -69.01 -39.87 79.03 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 120.714 -0.394 . . . . 0.0 110.314 -179.459 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . 0.407 ' O ' ' O ' ' A' ' 146' ' ' THR . . . -49.99 -100.38 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.981 0.419 . . . . 0.0 110.738 -179.681 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 71.7 mmtt . . . . . 0 C--N 1.323 -0.553 0 CA-C-O 118.003 -0.999 . . . . 0.0 110.187 179.982 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 30' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 . . . . . 0 N--CA 1.49 1.544 0 N-CA-C 109.154 -0.684 . . . . 0.0 109.154 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 60.0 p30 -105.38 21.4 17.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.17 -179.441 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . 0.453 ' CG2' ' OE1' ' A' ' 104' ' ' GLU . 2.5 pt -101.04 158.85 4.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 120.845 0.355 . . . . 0.0 110.771 -179.27 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 66.4 m-20 -80.01 80.14 6.46 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 179.105 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 34' ' ' MET . . . . . . . . . . . . . 78.6 mtp -65.28 -34.18 77.74 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.614 -0.721 . . . . 0.0 111.162 -178.69 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -60.96 -37.97 84.27 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.431 -179.05 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.32 120.75 54.38 Favored Pre-proline 0 CA--C 1.543 0.676 0 C-N-CA 120.719 -0.392 . . . . 0.0 110.819 -179.378 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_exo -53.21 -29.68 47.57 Favored 'Trans proline' 0 N--CA 1.5 1.892 0 C-N-CA 122.032 1.821 . . . . 0.0 112.283 178.637 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -60.31 -36.85 78.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.662 -179.486 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 97.9 m -59.54 -44.51 93.2 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.666 -179.62 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -61.87 -40.65 96.12 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.744 -0.382 . . . . 0.0 110.615 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 90.1 mmt-85 -63.76 -39.69 94.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.67 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -61.38 -40.77 95.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.914 0.388 . . . . 0.0 110.517 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -62.03 -39.69 93.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.887 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 56.9 t -61.32 -46.04 97.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.527 -179.274 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -60.88 -44.44 97.08 Favored 'General case' 0 C--N 1.331 -0.218 0 C-N-CA 120.582 -0.447 . . . . 0.0 110.656 -179.429 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 81.8 mt -63.55 -48.03 88.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.095 179.527 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 47' ' ' GLN . . . . . 0.557 ' CD ' ' H ' ' A' ' 114' ' ' GLU . 75.2 mt-30 -66.08 -41.19 91.04 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.879 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 75.7 m -63.34 -43.86 96.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.925 0.393 . . . . 0.0 110.181 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 72.4 tp60 -66.51 -39.15 88.51 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.359 179.554 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 50' ' ' PHE . . . . . 0.473 ' CZ ' ' NE2' ' B' ' 54' ' ' GLN . 56.1 t80 -59.22 -47.47 85.22 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.743 -179.803 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 44.3 ttm180 -59.63 -42.13 92.03 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.635 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 62.8 mttp -61.36 -40.35 93.95 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.28 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 53' ' ' PHE . . . . . . . . . . . . . 65.9 t80 -61.13 -45.12 95.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.118 179.465 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 54' ' ' GLN . . . . . 0.473 ' NE2' ' CZ ' ' B' ' 50' ' ' PHE . 92.2 mt-30 -61.14 -40.34 93.45 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.89 -179.193 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 64.6 tttm -60.61 -44.48 96.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.814 0.34 . . . . 0.0 110.296 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 18.6 mmmt -62.53 -39.8 94.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.521 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -60.72 -44.56 96.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.447 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.52 -40.3 94.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.801 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 170.53 -167.75 40.86 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.938 -0.865 . . . . 0.0 110.938 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 1.6 t 71.81 53.95 0.2 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.738 0.304 . . . . 0.0 110.708 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 64.5 tt0 -116.35 128.0 55.15 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.303 179.717 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.219 -0.505 0 CA-C-O 118.006 -0.997 . . . . 0.0 110.555 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . 0.516 ' O ' ' N ' ' A' ' 78' ' ' ASP . 66.9 ttp . . . . . 0 N--CA 1.491 1.6 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 88.0 tttt 39.87 -91.72 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.656 -179.817 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.516 ' N ' ' O ' ' A' ' 76' ' ' MET . 55.6 p30 -77.58 164.76 25.07 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.871 0.367 . . . . 0.0 110.815 -179.588 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.6 t -154.76 -20.38 0.12 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.741 -179.606 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -110.53 151.67 27.31 Favored 'General case' 0 C--N 1.335 -0.034 0 CA-C-O 120.973 0.416 . . . . 0.0 110.714 -179.821 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 66.0 m -80.05 -6.02 56.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.243 179.531 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -55.5 -39.15 70.1 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 -179.615 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.421 ' CD ' ' N ' ' A' ' 84' ' ' GLU . 3.2 pp20? -64.16 -34.69 78.65 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.614 179.301 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.421 ' N ' ' CD ' ' A' ' 83' ' ' GLU . 88.5 tt0 -62.99 -45.66 91.36 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-O 121.027 0.441 . . . . 0.0 110.454 -179.792 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 4.2 mm -65.22 -39.23 84.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.642 178.729 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 80.3 ttt180 -59.35 -38.28 79.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.201 -0.909 . . . . 0.0 111.017 179.854 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -56.24 -40.0 73.43 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.122 -0.49 . . . . 0.0 109.866 -179.395 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.71 -35.56 76.62 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.765 179.228 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 64.4 m-85 -73.83 -41.01 62.91 Favored 'General case' 0 C--N 1.332 -0.194 0 C-N-CA 120.469 -0.493 . . . . 0.0 110.324 178.419 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -49.07 -26.83 2.88 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.102 -178.156 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 55.3 t -61.18 -39.66 83.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 C-N-CA 120.674 -0.41 . . . . 0.0 110.629 179.021 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 27.8 m-85 -81.98 -23.44 36.05 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.848 -0.341 . . . . 0.0 110.814 -179.801 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.434 ' OD1' ' OD1' ' A' ' 95' ' ' ASP . 62.6 t0 -90.68 78.59 6.18 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.238 179.446 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.479 ' NZ ' ' CG ' ' B' ' 31' ' ' ASP . 16.0 ptpt -75.03 -25.38 58.69 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.751 0.31 . . . . 0.0 111.784 -179.796 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . 0.434 ' OD1' ' OD1' ' A' ' 93' ' ' ASP . 12.3 p-10 -75.69 -23.97 56.22 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.669 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 67.7 29.16 73.61 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.858 -0.897 . . . . 0.0 110.858 179.797 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . 0.428 ' O ' ' OD1' ' A' ' 97' ' ' ASN . 26.8 t-20 -95.8 -1.82 48.88 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 120.921 -0.312 . . . . 0.0 110.671 -179.855 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . 0.427 ' C ' ' CD1' ' A' ' 99' ' ' TYR . . . 93.9 13.8 53.88 Favored Glycine 0 CA--C 1.53 0.979 0 C-N-CA 120.799 -0.715 . . . . 0.0 111.432 -179.795 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.433 ' CD1' ' N ' ' A' ' 99' ' ' TYR . 24.1 m-85 -138.36 157.0 47.09 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-O 121.228 0.537 . . . . 0.0 112.145 -179.641 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -131.25 144.59 37.23 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.084 0 N-CA-C 107.926 -1.138 . . . . 0.0 107.926 177.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 40.5 t -60.53 132.05 52.68 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.032 -0.667 . . . . 0.0 110.625 -179.468 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.681 ' HB2' HG23 ' A' ' 136' ' ' VAL . . . -64.7 -38.83 92.33 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.923 179.653 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -60.04 -40.72 90.36 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.852 -0.613 . . . . 0.0 112.028 -178.323 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.581 ' O ' HG23 ' A' ' 108' ' ' VAL . 3.8 pt-20 -70.28 -30.05 66.97 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.511 -0.476 . . . . 0.0 110.488 -179.3 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 4.8 tt -60.97 -48.44 81.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.048 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.426 ' CD ' ' C ' ' A' ' 106' ' ' ARG . 0.0 OUTLIER -56.92 -49.47 75.51 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.22 -179.71 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . 0.588 ' CD2' ' CE2' ' B' ' 30' ' ' PHE . 79.2 t60 -61.79 -46.91 87.5 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.283 0.563 . . . . 0.0 110.812 179.126 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.581 HG23 ' O ' ' A' ' 104' ' ' GLU . 61.2 t -62.51 -39.57 84.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 115.497 -0.774 . . . . 0.0 111.673 -179.584 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . 0.462 ' N ' ' SD ' ' A' ' 109' ' ' MET . 0.0 OUTLIER -70.16 -32.11 69.93 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.799 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.658 ' CG2' HG21 ' A' ' 121' ' ' VAL . 64.3 p -103.92 -14.03 16.14 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 112.235 0.457 . . . . 0.0 112.235 -178.166 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . 0.51 ' ND2' ' CE1' ' A' ' 107' ' ' HIS . 63.9 t30 -105.89 -28.63 10.49 Favored 'General case' 0 N--CA 1.463 0.216 0 N-CA-C 112.068 0.396 . . . . 0.0 112.068 -179.419 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 83.2 mt -118.59 -179.13 3.7 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 121.628 0.728 . . . . 0.0 111.84 -179.191 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 62.71 -122.91 29.23 Favored Glycine 0 CA--C 1.526 0.733 0 CA-C-N 114.612 -1.176 . . . . 0.0 112.145 179.108 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . 0.421 ' O ' ' O ' ' A' ' 115' ' ' LYS . 99.3 mt-10 -99.76 13.82 32.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.921 0.391 . . . . 0.0 111.054 -179.353 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.421 ' O ' ' O ' ' A' ' 114' ' ' GLU . 90.0 mttt 49.58 101.98 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.642 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.79 HD23 HE21 ' B' ' 47' ' ' GLN . 4.2 mm? -91.7 156.45 17.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.239 -179.819 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . 0.524 ' O ' HG23 ' A' ' 121' ' ' VAL . 64.3 p -91.74 170.58 9.79 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.998 -0.371 . . . . 0.0 109.998 179.171 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . 0.531 ' OD1' ' N ' ' A' ' 119' ' ' GLU . 41.3 p-10 -58.44 -40.84 83.67 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.754 -0.378 . . . . 0.0 110.86 -179.793 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . 0.531 ' N ' ' OD1' ' A' ' 118' ' ' ASP . 88.6 tt0 -61.82 -42.7 99.35 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.664 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . 0.669 ' HB3' HD12 ' A' ' 116' ' ' LEU . 78.3 mm-40 -69.52 -40.01 77.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.093 0.473 . . . . 0.0 110.025 178.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.658 HG21 ' CG2' ' A' ' 110' ' ' THR . 76.9 t -66.73 -44.24 89.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.161 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -56.82 -46.57 81.57 Favored 'General case' 0 C--N 1.331 -0.205 0 C-N-CA 120.943 -0.303 . . . . 0.0 111.017 -178.085 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 53.6 tp10 -62.39 -37.2 84.85 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 179.076 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . 0.599 ' SD ' ' CE1' ' B' ' 50' ' ' PHE . 37.0 mmm -70.78 -37.7 73.34 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.21 -0.905 . . . . 0.0 110.324 178.322 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . 0.505 HG13 HD11 ' A' ' 130' ' ' ILE . 0.1 OUTLIER -61.19 -37.34 77.27 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.156 0 CA-C-N 115.578 -0.737 . . . . 0.0 111.489 -177.532 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 24.6 mmm-85 -61.42 -63.16 1.37 Allowed 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 119.927 -0.709 . . . . 0.0 109.52 -179.62 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -59.68 -6.94 1.32 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.452 -178.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.519 ' HB1' HG21 ' A' ' 136' ' ' VAL . . . -76.82 -73.82 0.27 Allowed 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.681 -0.408 . . . . 0.0 110.222 179.294 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . 0.487 ' CG ' ' N ' ' A' ' 130' ' ' ILE . 10.0 t70 163.46 -93.08 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.709 0 CA-C-O 121.57 0.7 . . . . 0.0 111.102 179.075 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . 0.585 ' O ' HG22 ' A' ' 130' ' ' ILE . 64.6 mt 60.08 54.86 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 114.721 -1.127 . . . . 0.0 110.649 -178.67 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -82.46 65.55 7.64 Favored 'General case' 0 C--N 1.324 -0.528 0 C-N-CA 120.444 -0.502 . . . . 0.0 109.75 179.416 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 72.2 -54.62 1.48 Allowed Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.512 -1.035 . . . . 0.0 110.512 -179.6 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . 0.473 ' OD2' ' NE2' ' A' ' 135' ' ' GLN . 38.8 p30 -61.2 -32.72 72.48 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 112.606 0.595 . . . . 0.0 112.606 -178.822 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . 0.441 ' N ' ' OD1' ' A' ' 133' ' ' ASP . . . 85.23 39.83 8.25 Favored Glycine 0 CA--C 1.53 0.989 0 C-N-CA 120.114 -1.041 . . . . 0.0 112.837 178.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . 0.473 ' NE2' ' OD2' ' A' ' 133' ' ' ASP . 0.6 OUTLIER -123.54 145.23 49.03 Favored 'General case' 0 N--CA 1.466 0.342 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 177.797 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . 0.681 HG23 ' HB2' ' A' ' 102' ' ' ALA . 40.4 t -124.86 134.32 67.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.835 -0.621 . . . . 0.0 112.542 -178.602 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . 0.453 ' OD1' ' O ' ' A' ' 137' ' ' ASN . 9.1 p30 -93.3 113.16 25.28 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 115.536 -0.756 . . . . 0.0 109.062 178.272 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 37.9 p90 -63.16 -6.79 4.64 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.486 -0.485 . . . . 0.0 111.962 -178.48 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . 0.444 ' HG2' HE21 ' A' ' 143' ' ' GLN . 88.6 tt0 -60.37 -51.05 71.17 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 119.952 -0.699 . . . . 0.0 110.7 -179.489 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 52.5 tp10 -60.37 -41.01 92.82 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-O 120.837 0.351 . . . . 0.0 110.729 -179.135 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . 0.517 ' O ' ' SD ' ' A' ' 145' ' ' MET . 3.9 m-85 -61.42 -41.05 96.56 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 120.409 -0.516 . . . . 0.0 109.799 179.187 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 52.5 t -64.07 -40.49 89.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 C-N-CA 120.533 -0.467 . . . . 0.0 110.584 178.793 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . 0.444 HE21 ' HG2' ' A' ' 139' ' ' GLU . 75.7 mt-30 -61.2 -40.4 93.8 Favored 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 178.877 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 72.7 mtp -60.46 -44.7 95.6 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 179.372 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . 0.517 ' SD ' ' O ' ' A' ' 141' ' ' PHE . 0.0 OUTLIER -68.97 -15.8 63.57 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.187 179.808 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 73.3 p -120.99 18.5 11.72 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.785 0.326 . . . . 0.0 110.356 179.819 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . 0.41 ' N ' ' O ' ' A' ' 143' ' ' GLN . . . -141.36 52.92 1.54 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.575 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.219 -0.532 0 CA-C-O 118.013 -0.994 . . . . 0.0 110.693 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 30' ' ' PHE . . . . . 0.601 ' N ' ' CD1' ' B' ' 30' ' ' PHE . 0.1 OUTLIER . . . . . 0 N--CA 1.49 1.541 0 N-CA-C 109.163 -0.68 . . . . 0.0 109.163 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 31' ' ' ASP . . . . . 0.479 ' CG ' ' NZ ' ' A' ' 94' ' ' LYS . 66.3 t0 -146.58 58.63 1.2 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.713 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . 0.424 HG21 HD13 ' B' ' 32' ' ' ILE . 7.9 pt -129.79 166.56 27.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 179.49 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 33' ' ' ASP . . . . . 0.467 ' OD2' ' HB2' ' B' ' 36' ' ' ALA . 63.3 t0 -81.45 76.63 8.37 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 120.217 -0.593 . . . . 0.0 109.526 179.368 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 34' ' ' MET . . . . . . . . . . . . . 99.2 mtp -62.87 -37.0 85.13 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.717 -179.239 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 67.1 t0 -60.55 -38.88 85.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.854 -179.374 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . 0.467 ' HB2' ' OD2' ' B' ' 33' ' ' ASP . . . -59.92 124.98 79.39 Favored Pre-proline 0 CA--C 1.541 0.627 0 C-N-CA 120.727 -0.389 . . . . 0.0 110.337 -179.709 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 76.2 Cg_exo -51.79 -27.21 26.19 Favored 'Trans proline' 0 N--CA 1.498 1.789 0 C-N-CA 121.783 1.655 . . . . 0.0 112.459 179.105 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 52.7 tp10 -59.32 -43.32 92.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.793 -178.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 93.9 m -61.81 -48.24 81.5 Favored 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 120.579 -0.448 . . . . 0.0 110.975 -179.437 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -64.45 -40.73 96.28 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.622 -0.51 . . . . 0.0 109.622 179.346 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 41' ' ' ARG . . . . . 0.504 HH12 ' HB2' ' B' ' 45' ' ' ALA . 51.6 tpt85 -61.6 -46.08 91.37 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.335 -0.848 . . . . 0.0 110.561 179.361 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -61.49 -40.29 94.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.238 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -61.55 -39.35 90.78 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.598 179.789 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 44' ' ' VAL . . . . . 0.408 ' O ' ' CB ' ' B' ' 48' ' ' SER . 52.9 t -60.43 -46.04 95.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.177 -179.34 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 45' ' ' ALA . . . . . 0.504 ' HB2' HH12 ' B' ' 41' ' ' ARG . . . -61.47 -46.54 89.63 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.52 -0.472 . . . . 0.0 111.175 -179.522 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 94.9 mt -66.71 -48.08 81.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.84 0.353 . . . . 0.0 111.329 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 47' ' ' GLN . . . . . 0.79 HE21 HD23 ' A' ' 116' ' ' LEU . 14.9 mm100 -69.02 -40.47 78.65 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.937 -179.061 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 48' ' ' SER . . . . . 0.408 ' CB ' ' O ' ' B' ' 44' ' ' VAL . 47.7 t -62.95 -43.86 97.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.105 0.479 . . . . 0.0 110.185 179.449 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 10.0 tp-100 -63.51 -36.53 84.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.331 -179.869 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 50' ' ' PHE . . . . . 0.599 ' CE1' ' SD ' ' A' ' 124' ' ' MET . 43.2 t80 -57.62 -45.84 84.86 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.718 -179.823 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 45.0 ttm180 -57.58 -45.87 84.69 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 120.597 -0.441 . . . . 0.0 110.002 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 20.3 ttmm -62.2 -41.33 98.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.966 0.412 . . . . 0.0 110.146 179.175 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 53' ' ' PHE . . . . . . . . . . . . . 92.8 t80 -58.61 -46.81 86.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.414 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 98.3 mm-40 -61.42 -39.27 90.17 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.545 -179.834 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 38.8 ttpt -59.6 -45.98 90.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.606 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -63.41 -39.51 94.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.594 179.626 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -60.73 -43.44 97.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.204 -179.782 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.97 -39.6 90.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.503 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . -69.46 153.12 52.37 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 110.878 -0.889 . . . . 0.0 110.878 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 66.2 m -128.87 155.6 44.99 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.866 0.365 . . . . 0.0 110.605 -179.854 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 61' ' ' GLN . . . . . 0.463 ' OE1' ' N ' ' B' ' 61' ' ' GLN . 6.5 pm0 -138.78 152.66 48.1 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.832 -179.89 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.221 -0.447 0 CA-C-O 117.961 -1.018 . . . . 0.0 110.508 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 10.2 mmt . . . . . 0 N--CA 1.49 1.526 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 32.7 tttp 72.04 -54.25 0.68 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.457 179.823 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.425 ' O ' ' OD1' ' A' ' 78' ' ' ASP . 66.2 t0 -96.56 47.57 1.07 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.634 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 66.7 p -139.93 -57.81 0.56 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.818 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.42 ' OD2' ' OE1' ' A' ' 82' ' ' GLU . 33.8 t0 -173.12 134.9 0.56 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.911 179.602 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 68.6 m -82.28 -7.22 59.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.465 179.203 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.521 ' CG ' HG21 ' A' ' 146' ' ' THR . 98.2 mt-10 -56.15 -36.14 67.95 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 -179.03 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 22.8 pt-20 -66.83 -28.48 68.39 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.97 179.286 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -62.41 -46.43 88.6 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-O 120.925 0.393 . . . . 0.0 110.761 -179.079 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 1.8 mt -72.93 -28.72 27.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 121.141 0.496 . . . . 0.0 110.168 179.534 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 41.0 ttm180 -60.34 -39.41 87.03 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.905 -0.589 . . . . 0.0 109.883 179.145 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -58.89 -43.72 91.01 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 179.66 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.48 -37.9 82.53 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.957 179.779 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 37.7 m-85 -76.5 -43.28 40.24 Favored 'General case' 0 C--N 1.332 -0.175 0 C-N-CA 120.644 -0.423 . . . . 0.0 110.352 178.357 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 95.2 mtt180 -48.77 -24.42 1.41 Allowed 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.447 -178.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 53.2 t -61.77 -40.74 87.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 N-CA-C 109.938 -0.393 . . . . 0.0 109.938 178.612 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 20.2 m-85 -86.12 -25.6 25.69 Favored 'General case' 0 CA--C 1.53 0.206 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.213 -179.604 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 63.7 t0 -88.35 76.38 8.34 Favored 'General case' 0 C--N 1.332 -0.176 0 C-N-CA 120.52 -0.472 . . . . 0.0 109.822 179.248 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 3.9 ptmm? -71.05 -21.14 62.29 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.751 -179.683 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -82.74 -25.83 32.49 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.795 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 68.02 32.73 77.48 Favored Glycine 0 CA--C 1.526 0.732 0 N-CA-C 110.473 -1.051 . . . . 0.0 110.473 -179.786 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 58.5 t30 -96.26 -1.06 48.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.704 0.288 . . . . 0.0 110.775 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 94.26 6.11 61.67 Favored Glycine 0 CA--C 1.529 0.928 0 N-CA-C 111.56 -0.616 . . . . 0.0 111.56 179.845 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.459 ' CD1' ' N ' ' A' ' 99' ' ' TYR . 18.2 m-85 -134.77 158.99 42.73 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-O 121.204 0.526 . . . . 0.0 111.654 -179.597 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -132.44 149.67 32.51 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.155 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 178.279 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 67.0 m -60.3 131.84 52.05 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 119.685 -0.806 . . . . 0.0 109.964 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.578 ' HB2' HG23 ' A' ' 136' ' ' VAL . . . -66.81 -38.06 85.74 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.904 0.383 . . . . 0.0 111.059 179.697 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -60.63 -42.38 96.77 Favored 'General case' 0 N--CA 1.465 0.292 0 N-CA-C 112.737 0.643 . . . . 0.0 112.737 -178.109 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.723 ' O ' HG23 ' A' ' 108' ' ' VAL . 7.8 pt-20 -69.28 -27.15 65.16 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.318 -0.553 . . . . 0.0 110.445 -179.055 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 45.7 tp -61.5 -45.7 93.13 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 108.915 -0.772 . . . . 0.0 108.915 179.693 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 9.3 tpp180 -56.98 -50.16 73.55 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.224 -179.007 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . 0.427 ' O ' ' N ' ' A' ' 111' ' ' ASN . 80.6 t60 -62.61 -44.46 96.24 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.41 0.624 . . . . 0.0 110.358 179.61 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.723 HG23 ' O ' ' A' ' 104' ' ' GLU . 74.4 t -61.77 -37.33 77.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 114.98 -1.009 . . . . 0.0 112.094 -178.782 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -82.64 -22.6 34.63 Favored 'General case' 0 N--CA 1.466 0.326 0 C-N-CA 120.595 -0.442 . . . . 0.0 111.8 -178.879 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.505 HG22 HG21 ' A' ' 121' ' ' VAL . 46.4 p -103.46 -16.63 15.52 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 120.464 -0.494 . . . . 0.0 111.347 -179.089 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . 0.427 ' N ' ' O ' ' A' ' 107' ' ' HIS . 17.0 t-20 -109.93 -48.7 3.17 Favored 'General case' 0 N--CA 1.464 0.272 0 C-N-CA 120.99 -0.284 . . . . 0.0 111.761 -179.534 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 91.0 mt -95.05 174.55 7.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.312 0.577 . . . . 0.0 111.79 -179.086 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 70.23 -123.09 11.82 Favored Glycine 0 CA--C 1.527 0.799 0 CA-C-N 115.005 -0.998 . . . . 0.0 112.927 178.679 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . 0.446 ' O ' ' O ' ' A' ' 115' ' ' LYS . 99.4 mt-10 -105.08 13.43 30.82 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.878 0.37 . . . . 0.0 111.466 -179.016 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.446 ' O ' ' O ' ' A' ' 114' ' ' GLU . 52.9 mttp 50.05 103.91 0.01 OUTLIER 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.791 179.813 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.529 HD12 ' HB3' ' A' ' 120' ' ' GLU . 4.5 mm? -91.25 158.44 16.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.788 -0.642 . . . . 0.0 109.735 179.21 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 72.6 p -92.35 170.07 10.07 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.194 -0.669 . . . . 0.0 109.194 178.572 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -59.12 -40.71 86.27 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 120.481 -0.487 . . . . 0.0 110.642 -179.308 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -63.11 -43.05 99.54 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.625 -0.43 . . . . 0.0 111.011 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . 0.529 ' HB3' HD12 ' A' ' 116' ' ' LEU . 52.1 mt-10 -69.4 -44.07 72.17 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.88 0.371 . . . . 0.0 111.129 179.701 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.557 HG12 HD13 ' A' ' 125' ' ' ILE . 65.2 t -65.63 -42.89 93.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.753 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -54.66 -39.01 67.61 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.283 -0.567 . . . . 0.0 109.604 -178.805 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -63.33 -37.41 87.14 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.214 0.531 . . . . 0.0 109.725 178.326 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 96.4 mtp -70.49 -38.43 74.37 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.655 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . 0.557 HD13 HG12 ' A' ' 121' ' ' VAL . 1.2 mp -59.2 -39.2 78.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.533 -179.646 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 83.9 mtp180 -67.87 -26.21 65.9 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.345 179.814 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -95.82 -3.41 45.64 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.641 179.43 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.502 ' HB1' HG21 ' A' ' 136' ' ' VAL . . . -87.97 -78.12 0.33 Allowed 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.745 -178.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . 0.471 ' CG ' ' N ' ' A' ' 130' ' ' ILE . 14.6 t0 164.45 -96.29 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.817 0 CA-C-O 121.384 0.612 . . . . 0.0 110.679 179.858 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . 0.471 ' N ' ' CG ' ' A' ' 129' ' ' ASP . 1.0 OUTLIER 60.7 57.76 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 114.985 -1.007 . . . . 0.0 110.725 -179.142 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 65.5 t0 -83.99 69.6 10.34 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 179.078 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 45.82 30.0 3.37 Favored Glycine 0 CA--C 1.527 0.797 0 N-CA-C 110.522 -1.031 . . . . 0.0 110.522 179.666 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . 0.448 ' OD1' ' O ' ' A' ' 133' ' ' ASP . 65.6 t0 -131.96 -22.45 2.32 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.702 0.287 . . . . 0.0 110.974 -179.398 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 79.17 26.79 57.12 Favored Glycine 0 CA--C 1.532 1.131 0 C-N-CA 120.914 -0.66 . . . . 0.0 112.994 178.676 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . 0.418 ' O ' ' OE1' ' A' ' 135' ' ' GLN . 0.0 OUTLIER -123.95 148.59 46.78 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-N 117.531 0.666 . . . . 0.0 110.881 179.345 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . 0.578 HG23 ' HB2' ' A' ' 102' ' ' ALA . 8.2 t -133.38 135.3 56.35 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.171 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.94 -179.381 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -90.5 110.26 21.38 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.659 -0.7 . . . . 0.0 109.852 178.81 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 38.0 p90 -65.86 -13.56 59.81 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 120.816 -0.354 . . . . 0.0 111.852 -179.003 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 60.5 mp0 -58.91 -48.16 82.45 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 120.08 -0.648 . . . . 0.0 110.821 -178.46 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -62.11 -43.1 99.56 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.65 -0.42 . . . . 0.0 111.005 -179.695 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -58.77 -48.02 82.67 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.179 -0.464 . . . . 0.0 109.969 179.4 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 55.1 t -64.12 -42.58 96.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.841 179.784 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 80.2 mm-40 -61.67 -41.05 97.02 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 108.546 -0.909 . . . . 0.0 108.546 178.504 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 2.3 ttt -66.73 -49.23 66.68 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.195 -0.911 . . . . 0.0 110.431 178.711 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 64.1 mtt -66.05 -34.91 79.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.868 179.794 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 146' ' ' THR . . . . . 0.521 HG21 ' CG ' ' A' ' 82' ' ' GLU . 62.4 m -67.73 -39.43 84.29 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 110.041 -0.355 . . . . 0.0 110.041 -179.121 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -55.79 91.73 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.859 0.361 . . . . 0.0 110.253 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . 0.5 ' O ' ' NZ ' ' A' ' 148' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.22 -0.47 0 CA-C-O 118.042 -0.98 . . . . 0.0 110.774 -179.73 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 30' ' ' PHE . . . . . . . . . . . . . 18.9 m-85 . . . . . 0 N--CA 1.491 1.606 0 N-CA-C 109.387 -0.597 . . . . 0.0 109.387 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 96.4 m-20 58.53 34.37 23.85 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.323 0.582 . . . . 0.0 109.628 -178.792 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . 0.417 HD11 ' CD ' ' A' ' 104' ' ' GLU . 83.1 mt -127.0 129.75 71.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.134 -0.939 . . . . 0.0 110.247 179.77 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -84.76 122.15 28.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.88 0.372 . . . . 0.0 110.834 -179.688 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 34' ' ' MET . . . . . . . . . . . . . 64.4 mtt -95.23 -3.91 46.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.668 179.828 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 56.1 p30 -85.74 4.52 36.38 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.952 -0.567 . . . . 0.0 109.963 179.77 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -102.46 110.05 62.01 Favored Pre-proline 0 CA--C 1.537 0.448 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.224 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 75.4 Cg_exo -50.6 -29.65 25.79 Favored 'Trans proline' 0 N--CA 1.495 1.58 0 C-N-CA 121.824 1.682 . . . . 0.0 111.926 179.475 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -60.41 -41.89 94.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.528 -179.811 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 97.1 m -61.15 -45.79 93.19 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.829 0.347 . . . . 0.0 110.396 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -62.0 -44.05 97.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.399 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 23.6 mmt85 -63.54 -40.14 96.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.352 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -61.91 -39.98 93.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.168 179.531 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -61.41 -39.89 92.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.652 179.832 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 54.6 t -61.66 -46.32 96.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.726 -179.308 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 45' ' ' ALA . . . . . 0.531 ' O ' ' NE2' ' B' ' 49' ' ' GLN . . . -61.31 -43.9 98.1 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.646 -0.421 . . . . 0.0 110.85 -179.272 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 97.4 mt -62.65 -47.43 92.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-O 121.052 0.454 . . . . 0.0 109.813 179.839 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 47' ' ' GLN . . . . . 0.447 ' OE1' ' CD2' ' A' ' 116' ' ' LEU . 76.6 mt-30 -66.57 -39.58 88.56 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.356 179.366 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 48.2 t -60.87 -45.75 93.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.825 0.345 . . . . 0.0 110.622 -179.57 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . 0.531 ' NE2' ' O ' ' B' ' 45' ' ' ALA . 2.5 mp0 -65.24 -35.91 82.5 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.898 179.692 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 50' ' ' PHE . . . . . 0.612 ' CE2' ' NE2' ' B' ' 54' ' ' GLN . 38.8 t80 -59.03 -48.5 81.35 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.666 -0.414 . . . . 0.0 110.601 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -62.56 -40.03 95.55 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.883 -0.327 . . . . 0.0 110.57 179.722 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 64.7 tttm -61.87 -41.26 97.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.376 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 53' ' ' PHE . . . . . . . . . . . . . 61.3 t80 -59.5 -43.01 93.44 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.373 -179.649 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 54' ' ' GLN . . . . . 0.612 ' NE2' ' CE2' ' B' ' 50' ' ' PHE . 58.0 mt-30 -61.12 -40.05 92.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.726 -179.552 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 14.4 tmtt? -60.28 -45.07 94.63 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.712 -179.731 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 27.4 ttpp -60.6 -47.7 85.04 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.556 -0.457 . . . . 0.0 110.213 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 51.2 tptt -64.62 -43.34 94.04 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 109.71 -0.478 . . . . 0.0 109.71 179.759 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . 38.64 46.43 1.0 Allowed 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.918 179.768 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . -61.28 -40.78 99.08 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 111.31 -0.716 . . . . 0.0 111.31 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 48.1 t -149.63 143.19 25.37 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.83 0.348 . . . . 0.0 110.81 -179.792 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -81.06 146.79 30.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.522 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 5.1 t . . . . . 0 C--O 1.22 -0.49 0 CA-C-O 118.005 -0.998 . . . . 0.0 110.606 179.982 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 66.2 mtt . . . . . 0 N--CA 1.489 1.504 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.431 ' O ' ' C ' ' A' ' 78' ' ' ASP . 98.8 mttt -110.59 121.36 45.12 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.368 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.431 ' C ' ' O ' ' A' ' 77' ' ' LYS . 68.2 t0 -31.29 126.01 0.2 Allowed 'General case' 0 N--CA 1.464 0.25 0 CA-C-O 121.243 0.544 . . . . 0.0 111.781 -178.642 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.488 ' O ' ' C ' ' A' ' 80' ' ' ASP . 92.3 m -125.32 140.15 53.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.277 -0.874 . . . . 0.0 110.079 -179.77 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.488 ' C ' ' O ' ' A' ' 79' ' ' THR . 99.2 m-20 -20.36 93.18 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.542 0 O-C-N 124.028 0.83 . . . . 0.0 112.008 -179.244 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 67.8 m -80.85 -7.28 59.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.509 -0.769 . . . . 0.0 111.043 -179.822 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -54.27 -31.17 53.06 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.268 0.556 . . . . 0.0 109.873 -179.748 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -70.37 -34.93 73.17 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.306 -0.861 . . . . 0.0 110.323 179.396 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -62.47 -47.16 85.2 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.771 -179.665 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 4.7 mm -66.62 -38.14 80.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.027 -0.533 . . . . 0.0 109.578 179.037 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.627 ' CZ ' HH21 ' A' ' 90' ' ' ARG . 75.4 ttt180 -59.71 -38.14 80.8 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.21 -0.905 . . . . 0.0 110.957 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -57.5 -40.82 79.5 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 -179.703 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -59.76 -35.79 75.33 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.676 179.571 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 60.8 m-85 -77.16 -40.42 45.53 Favored 'General case' 0 C--N 1.331 -0.196 0 C-N-CA 120.678 -0.409 . . . . 0.0 110.442 178.223 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.627 HH21 ' CZ ' ' A' ' 86' ' ' ARG . 94.1 mtt-85 -51.2 -25.11 4.95 Favored 'General case' 0 CA--C 1.52 -0.2 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.823 -178.773 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 53.8 t -61.89 -39.38 83.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.157 178.72 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 22.2 m-85 -85.0 -21.12 29.61 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.035 -179.677 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 65.2 t0 -91.24 84.73 5.68 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 178.72 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.417 ' HD2' ' H ' ' A' ' 94' ' ' LYS . 0.0 OUTLIER -86.44 -20.92 27.44 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.753 -0.379 . . . . 0.0 110.907 -179.307 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -74.67 -27.31 60.36 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.643 -0.503 . . . . 0.0 109.643 178.629 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 71.37 26.72 72.84 Favored Glycine 0 CA--C 1.526 0.749 0 N-CA-C 110.701 -0.96 . . . . 0.0 110.701 -179.699 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 56.2 p30 -94.14 -0.87 55.01 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 121.057 -0.257 . . . . 0.0 111.369 -179.823 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . 0.416 ' C ' ' CD1' ' A' ' 99' ' ' TYR . . . 92.93 10.78 59.59 Favored Glycine 0 CA--C 1.531 1.051 0 C-N-CA 120.947 -0.644 . . . . 0.0 111.56 179.829 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.462 ' CD1' ' N ' ' A' ' 99' ' ' TYR . 16.9 m-85 -136.87 158.54 44.22 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-O 121.208 0.527 . . . . 0.0 112.207 -179.787 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.429 HG21 HD13 ' A' ' 100' ' ' ILE . 0.2 OUTLIER -130.63 145.56 35.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 N-CA-C 107.593 -1.262 . . . . 0.0 107.593 177.842 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 67.2 m -59.98 130.34 46.24 Favored 'General case' 0 C--N 1.323 -0.553 0 C-N-CA 119.815 -0.754 . . . . 0.0 110.179 -179.571 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.656 ' HB2' HG23 ' A' ' 136' ' ' VAL . . . -64.15 -39.35 93.83 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.077 0.465 . . . . 0.0 111.075 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -60.82 -42.02 96.86 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 113.018 0.747 . . . . 0.0 113.018 -177.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.629 ' O ' HG23 ' A' ' 108' ' ' VAL . 7.8 pt-20 -69.85 -28.39 65.63 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 120.358 -0.537 . . . . 0.0 110.601 -178.849 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 3.4 tt -60.82 -47.8 84.69 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.848 -0.427 . . . . 0.0 109.848 179.596 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 8.7 tmm_? -56.59 -49.8 73.83 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.632 -0.427 . . . . 0.0 110.078 -179.481 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . 0.496 ' O ' ' N ' ' A' ' 111' ' ' ASN . 83.8 t60 -61.15 -46.35 90.88 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-O 121.332 0.587 . . . . 0.0 110.437 179.517 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.629 HG23 ' O ' ' A' ' 104' ' ' GLU . 63.2 t -61.32 -39.42 82.62 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 115.113 -0.949 . . . . 0.0 110.879 -179.808 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.8 -29.25 63.12 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.953 -179.521 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.54 ' CG2' HG21 ' A' ' 121' ' ' VAL . 69.8 p -104.01 -14.0 16.11 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 120.67 -0.412 . . . . 0.0 111.894 -178.44 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . 0.496 ' N ' ' O ' ' A' ' 107' ' ' HIS . 61.3 t30 -107.12 -48.96 3.37 Favored 'General case' 0 N--CA 1.466 0.365 0 N-CA-C 112.39 0.515 . . . . 0.0 112.39 -179.094 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.49 HD11 ' SD ' ' B' ' 34' ' ' MET . 86.5 mt -93.17 167.35 11.82 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-O 121.086 0.47 . . . . 0.0 111.987 -178.573 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 61.02 -115.01 7.25 Favored Glycine 0 CA--C 1.521 0.445 0 CA-C-N 115.705 -0.68 . . . . 0.0 111.997 178.432 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . 0.561 ' O ' HD22 ' A' ' 116' ' ' LEU . 99.2 mt-10 -115.9 96.26 5.5 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 179.197 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.402 ' H ' ' HG3' ' A' ' 115' ' ' LYS . 5.2 mtpm? -37.29 116.18 0.45 Allowed 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.718 -178.24 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.666 HD12 ' HB3' ' A' ' 120' ' ' GLU . 3.9 mm? -86.51 156.17 20.2 Favored 'General case' 0 C--N 1.332 -0.153 0 N-CA-C 107.925 -1.139 . . . . 0.0 107.925 177.788 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 67.0 p -89.01 165.58 14.46 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.205 -0.598 . . . . 0.0 109.782 178.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . 0.449 ' N ' ' OD1' ' A' ' 118' ' ' ASP . 11.1 p-10 -58.24 -40.14 80.97 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 120.569 -0.453 . . . . 0.0 110.3 -179.875 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . 0.434 ' OE1' ' OD1' ' A' ' 118' ' ' ASP . 60.9 mp0 -62.7 -41.76 99.3 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.167 179.841 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . 0.666 ' HB3' HD12 ' A' ' 116' ' ' LEU . 51.0 mt-10 -69.96 -43.22 72.0 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.861 179.315 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.602 HG12 HD13 ' A' ' 125' ' ' ILE . 55.7 t -63.21 -43.01 98.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 116.238 -0.437 . . . . 0.0 109.987 179.38 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -55.38 -39.43 70.12 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 120.182 -0.607 . . . . 0.0 109.744 -178.839 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 78.6 mm-40 -63.01 -38.08 89.77 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 178.304 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 96.0 mtp -70.41 -39.65 74.35 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.883 -179.707 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . 0.602 HD13 HG12 ' A' ' 121' ' ' VAL . 1.1 mp -57.96 -39.48 72.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.469 -179.409 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 34.5 mmt180 -68.0 -27.3 66.44 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.488 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -95.69 -8.07 35.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.004 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.672 ' HB1' HG21 ' A' ' 136' ' ' VAL . . . -82.34 -73.58 0.39 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.239 -179.166 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . 0.486 ' CG ' ' N ' ' A' ' 130' ' ' ILE . 13.6 t0 159.67 -96.33 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.799 0 O-C-N 123.703 0.627 . . . . 0.0 110.267 179.815 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . 0.486 ' N ' ' CG ' ' A' ' 129' ' ' ASP . 0.8 OUTLIER 62.43 75.05 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.038 -0.983 . . . . 0.0 110.844 -179.284 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 58.4 p30 -90.86 50.24 1.77 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.544 -0.753 . . . . 0.0 109.103 179.018 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 81.36 -48.54 3.84 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.58 -1.008 . . . . 0.0 110.58 -179.567 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -59.88 -39.24 84.63 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 121.158 -0.217 . . . . 0.0 111.005 -179.198 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 98.55 41.29 3.2 Favored Glycine 0 CA--C 1.526 0.728 0 C-N-CA 120.379 -0.915 . . . . 0.0 111.889 179.578 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 20.0 pt20 -125.46 144.8 50.37 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-O 121.18 0.514 . . . . 0.0 111.096 179.575 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . 0.672 HG21 ' HB1' ' A' ' 128' ' ' ALA . 27.1 t -128.83 134.01 65.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.395 -0.82 . . . . 0.0 111.833 -179.456 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . 0.457 ' OD1' ' O ' ' A' ' 137' ' ' ASN . 9.9 p30 -91.9 113.44 25.71 Favored 'General case' 0 N--CA 1.452 -0.37 0 N-CA-C 109.23 -0.656 . . . . 0.0 109.23 178.439 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 40.2 p90 -62.98 -8.63 7.62 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 112.394 0.516 . . . . 0.0 112.394 -178.305 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . 0.404 ' HG2' HE21 ' A' ' 143' ' ' GLN . 88.6 tt0 -59.67 -50.14 75.03 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 119.956 -0.698 . . . . 0.0 110.737 -179.329 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -60.82 -39.34 88.61 Favored 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 120.985 -0.286 . . . . 0.0 111.44 -178.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -60.79 -43.77 97.69 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 178.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 55.1 t -65.09 -46.08 92.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.219 179.108 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . 0.439 ' O ' ' HB2' ' A' ' 147' ' ' ALA . 76.5 mt-30 -63.03 -41.02 99.42 Favored 'General case' 0 CA--C 1.519 -0.243 0 N-CA-C 108.968 -0.752 . . . . 0.0 108.968 178.845 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 2.2 ttp -60.66 -47.76 84.79 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.294 -0.866 . . . . 0.0 109.234 178.15 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 9.2 mtm -72.23 -19.08 61.77 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.777 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 77.0 p -114.41 17.57 17.36 Favored 'General case' 0 N--CA 1.464 0.242 0 C-N-CA 121.195 -0.202 . . . . 0.0 111.49 -179.321 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . 0.439 ' HB2' ' O ' ' A' ' 143' ' ' GLN . . . -116.85 66.03 0.72 Allowed 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.685 -0.234 . . . . 0.0 110.648 179.606 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 10.7 tptp . . . . . 0 C--O 1.221 -0.431 0 CA-C-O 117.951 -1.023 . . . . 0.0 110.554 179.868 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 30' ' ' PHE . . . . . . . . . . . . . 47.9 m-85 . . . . . 0 N--CA 1.491 1.595 0 N-CA-C 109.532 -0.544 . . . . 0.0 109.532 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 56.48 37.12 28.55 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.373 0.606 . . . . 0.0 109.862 -179.107 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . 0.457 HD11 ' CD ' ' A' ' 104' ' ' GLU . 67.7 mt -126.18 134.62 66.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.144 -0.934 . . . . 0.0 110.478 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 66.4 t0 -77.21 102.88 6.83 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 121.175 0.512 . . . . 0.0 110.518 -179.309 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 34' ' ' MET . . . . . 0.49 ' SD ' HD11 ' A' ' 112' ' ' LEU . 81.3 mmm -76.16 -30.79 58.24 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.805 -179.34 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -62.25 -41.97 98.91 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.916 -0.584 . . . . 0.0 112.163 -178.818 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.16 135.18 90.76 Favored Pre-proline 0 CA--C 1.538 0.487 0 C-N-CA 120.659 -0.416 . . . . 0.0 110.802 -178.736 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -70.71 -22.81 27.24 Favored 'Trans proline' 0 N--CA 1.492 1.417 0 C-N-CA 122.187 1.925 . . . . 0.0 112.451 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 75.4 mm-40 -62.57 -39.91 95.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.627 -179.732 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 99.8 m -61.41 -48.91 79.05 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.829 -179.712 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -65.22 -40.97 94.82 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.359 0.6 . . . . 0.0 109.401 179.177 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 24.7 tpt180 -60.59 -45.42 94.05 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.125 -0.943 . . . . 0.0 110.193 179.818 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -61.45 -39.05 89.45 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.85 -0.613 . . . . 0.0 110.344 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -60.6 -38.93 86.31 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.55 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 55.3 t -60.5 -46.35 95.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.272 -179.483 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -61.17 -46.66 89.59 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 120.502 -0.479 . . . . 0.0 110.856 -179.487 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 88.8 mt -64.54 -47.33 89.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-O 120.879 0.371 . . . . 0.0 111.071 179.581 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 47' ' ' GLN . . . . . 0.464 ' OE1' ' N ' ' A' ' 114' ' ' GLU . 76.3 mt-30 -65.85 -40.9 92.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.337 -179.707 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 48.0 t -62.45 -45.12 94.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.034 0.445 . . . . 0.0 110.562 179.832 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 94.7 mm-40 -64.3 -38.12 89.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.183 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 50' ' ' PHE . . . . . 0.626 ' CE2' ' NE2' ' B' ' 54' ' ' GLN . 53.5 t80 -58.07 -47.3 83.59 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.717 -0.393 . . . . 0.0 110.31 -179.87 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 63.4 ttm-85 -60.3 -41.24 92.99 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.227 179.522 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 65.0 tttp -60.16 -39.36 86.16 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.274 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 53' ' ' PHE . . . . . . . . . . . . . 47.8 t80 -58.56 -42.82 88.8 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.122 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 54' ' ' GLN . . . . . 0.626 ' NE2' ' CE2' ' B' ' 50' ' ' PHE . 76.3 mt-30 -62.47 -40.21 95.91 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.27 -179.717 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 21.7 mtmt -60.9 -38.18 84.8 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 120.894 -0.322 . . . . 0.0 110.952 -179.789 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 34.6 mmtm -61.28 -39.26 89.75 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 120.639 -0.424 . . . . 0.0 110.136 179.694 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 73.0 mmtt -79.96 -17.79 52.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.528 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.77 -39.62 92.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.391 -179.328 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . -59.33 123.61 33.94 Favored Glycine 0 CA--C 1.524 0.641 0 C-N-CA 120.551 -0.833 . . . . 0.0 111.051 -179.289 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 47.9 t -63.43 -44.0 95.84 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.84 0.352 . . . . 0.0 110.932 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 5.6 tt0 72.82 8.75 5.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.279 -179.351 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.22 -0.471 0 CA-C-O 117.993 -1.004 . . . . 0.0 110.541 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 13.3 mmt . . . . . 0 N--CA 1.49 1.556 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 88.2 tttt 57.53 90.16 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.646 179.318 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.525 ' OD2' ' NH1' ' A' ' 86' ' ' ARG . 41.2 t0 61.77 61.41 1.43 Allowed 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.714 179.153 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 36.2 p -79.28 -145.12 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.34 179.353 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 55.11 174.36 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.187 179.403 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 89.6 p -71.79 -8.6 55.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.696 -0.683 . . . . 0.0 110.37 179.765 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.732 ' HG2' HG21 ' A' ' 146' ' ' THR . 95.0 mt-10 -54.67 -36.61 64.79 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 -179.426 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 3.0 pp20? -67.46 -31.74 72.11 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.766 179.279 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 15.6 tm-20 -63.14 -47.1 84.18 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-O 121.138 0.494 . . . . 0.0 110.106 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 4.5 mm -67.43 -35.23 72.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.623 -0.717 . . . . 0.0 109.579 178.798 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.572 ' CZ ' ' NH2' ' A' ' 90' ' ' ARG . 56.9 ttp180 -58.06 -38.72 76.85 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.334 -0.848 . . . . 0.0 110.25 -179.875 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -58.82 -41.86 87.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.111 -0.495 . . . . 0.0 109.846 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.42 -38.21 86.29 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.515 179.169 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 35.0 m-85 -72.27 -42.74 65.24 Favored 'General case' 0 C--N 1.332 -0.164 0 C-N-CA 120.441 -0.504 . . . . 0.0 109.833 178.162 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.572 ' NH2' ' CZ ' ' A' ' 86' ' ' ARG . 93.7 mtt180 -45.94 -25.7 0.59 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.602 -178.806 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 54.1 t -61.99 -39.59 84.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 C-N-CA 120.904 -0.319 . . . . 0.0 110.507 178.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 27.5 m-85 -83.33 -25.1 31.78 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 120.763 -0.375 . . . . 0.0 110.454 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.437 ' OD1' ' N ' ' A' ' 96' ' ' GLY . 62.1 t0 -92.13 81.38 5.04 Favored 'General case' 0 C--N 1.332 -0.181 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 178.752 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 65.5 pttt -70.27 -19.4 63.11 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 112.451 0.537 . . . . 0.0 112.451 -179.115 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -92.56 -21.92 19.82 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.751 -179.781 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . 0.437 ' N ' ' OD1' ' A' ' 93' ' ' ASP . . . 68.49 36.21 83.22 Favored Glycine 0 CA--C 1.523 0.543 0 N-CA-C 109.846 -1.302 . . . . 0.0 109.846 -179.111 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 56.4 t30 -91.68 -3.18 56.6 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.687 0.279 . . . . 0.0 110.632 -179.802 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . 0.406 ' C ' ' CD1' ' A' ' 99' ' ' TYR . . . 93.73 6.98 61.86 Favored Glycine 0 CA--C 1.529 0.917 0 C-N-CA 121.187 -0.53 . . . . 0.0 111.87 179.696 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.473 ' CD1' ' N ' ' A' ' 99' ' ' TYR . 15.1 m-85 -136.97 159.76 40.91 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-O 121.005 0.431 . . . . 0.0 111.403 -179.864 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.44 HD13 HG21 ' A' ' 100' ' ' ILE . 1.7 pt -131.2 146.16 34.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 N-CA-C 108.438 -0.949 . . . . 0.0 108.438 178.701 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 67.6 m -65.58 100.45 0.52 Allowed 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 120.077 -0.649 . . . . 0.0 110.737 -179.494 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.76 ' HB2' HG23 ' A' ' 136' ' ' VAL . . . -40.66 -30.86 0.13 Allowed 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 112.67 0.618 . . . . 0.0 112.67 -178.102 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -61.21 -39.49 90.44 Favored 'General case' 0 C--N 1.323 -0.564 0 C-N-CA 120.529 -0.469 . . . . 0.0 111.301 -179.3 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.595 ' O ' HG23 ' A' ' 108' ' ' VAL . 5.5 pt-20 -73.76 -30.68 62.93 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.694 -0.403 . . . . 0.0 110.861 -179.381 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 3.8 tt -60.05 -49.19 78.65 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.496 -0.482 . . . . 0.0 109.944 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.538 ' O ' HG23 ' A' ' 110' ' ' THR . 8.4 tmm_? -57.43 -50.28 73.51 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.5 -0.48 . . . . 0.0 109.978 -179.338 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . 0.539 ' ND1' ' ND2' ' A' ' 111' ' ' ASN . 73.8 t60 -60.29 -47.16 87.21 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.252 0.549 . . . . 0.0 110.847 179.367 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.595 HG23 ' O ' ' A' ' 104' ' ' GLU . 66.1 t -62.13 -39.06 82.53 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 115.326 -0.852 . . . . 0.0 111.448 -179.737 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.75 -26.44 60.66 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.735 -179.238 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.538 HG23 ' O ' ' A' ' 106' ' ' ARG . 52.3 p -99.49 -11.94 20.62 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 112.544 0.572 . . . . 0.0 112.544 -178.091 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . 0.539 ' ND2' ' ND1' ' A' ' 107' ' ' HIS . 68.2 m-80 -118.1 -27.09 6.19 Favored 'General case' 0 N--CA 1.47 0.567 0 N-CA-C 113.036 0.754 . . . . 0.0 113.036 -179.042 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.586 HD11 ' CE ' ' B' ' 34' ' ' MET . 90.5 mt -113.5 -179.38 3.62 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-O 121.324 0.583 . . . . 0.0 111.585 -179.225 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 62.21 -123.41 31.09 Favored Glycine 0 CA--C 1.525 0.69 0 CA-C-N 115.261 -0.881 . . . . 0.0 112.448 178.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . 0.44 ' O ' ' O ' ' A' ' 115' ' ' LYS . 80.3 mm-40 -100.26 15.77 26.52 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.457 -0.371 . . . . 0.0 110.996 -179.49 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.44 ' O ' ' O ' ' A' ' 114' ' ' GLU . 49.0 mttm 46.32 103.47 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.628 -0.715 . . . . 0.0 111.256 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.479 ' N ' HD22 ' A' ' 116' ' ' LEU . 4.3 mm? -91.71 155.35 18.35 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.694 -0.685 . . . . 0.0 109.545 179.166 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 66.9 p -91.43 169.38 10.83 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.257 -0.645 . . . . 0.0 109.257 178.559 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -59.04 -39.29 81.53 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 120.493 -0.483 . . . . 0.0 110.379 -179.43 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -62.37 -44.17 97.1 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.849 -0.34 . . . . 0.0 110.663 179.698 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . 0.443 ' HB3' HD12 ' A' ' 116' ' ' LEU . 51.8 mt-10 -67.55 -42.93 81.85 Favored 'General case' 0 C--N 1.332 -0.189 0 C-N-CA 120.804 -0.358 . . . . 0.0 110.617 179.159 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.661 HG12 HD13 ' A' ' 125' ' ' ILE . 53.2 t -63.73 -46.47 94.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.298 179.283 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 68.3 t0 -49.94 -41.48 46.39 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 120.249 -0.58 . . . . 0.0 109.529 -179.388 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . 0.537 ' OE1' ' NH2' ' A' ' 126' ' ' ARG . 53.1 tp10 -62.41 -38.7 90.69 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 178.518 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 96.2 mtp -70.51 -38.93 74.37 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.689 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . 0.661 HD13 HG12 ' A' ' 121' ' ' VAL . 1.3 mp -60.17 -42.0 88.67 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.332 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.332 -179.029 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . 0.537 ' NH2' ' OE1' ' A' ' 123' ' ' GLU . 86.9 mtm180 -66.85 -26.12 66.75 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.873 0.368 . . . . 0.0 110.629 -179.882 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . 0.428 ' O ' ' OE2' ' A' ' 140' ' ' GLU . 80.3 mm-40 -95.93 -0.17 51.15 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.913 179.653 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.684 ' HB1' HG21 ' A' ' 136' ' ' VAL . . . -91.78 -77.26 0.43 Allowed 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 121.023 -0.271 . . . . 0.0 111.557 -179.082 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . 0.426 ' CG ' ' O ' ' A' ' 128' ' ' ALA . 1.2 m-20 168.86 -94.69 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.443 0 CA-C-O 120.919 0.39 . . . . 0.0 110.73 -179.832 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . 0.413 ' O ' HG22 ' A' ' 130' ' ' ILE . 22.3 mt 51.96 53.35 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.895 179.794 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -61.19 -39.81 91.59 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 108.54 -0.911 . . . . 0.0 108.54 178.375 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -175.71 -46.47 0.06 OUTLIER Glycine 0 CA--C 1.526 0.775 0 CA-C-N 114.872 -1.058 . . . . 0.0 111.215 179.613 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -61.54 -39.7 92.02 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 120.993 -0.283 . . . . 0.0 111.582 -179.074 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 99.21 38.86 3.66 Favored Glycine 0 CA--C 1.528 0.853 0 C-N-CA 120.614 -0.803 . . . . 0.0 111.827 179.781 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 8.7 pt20 -120.41 145.97 46.66 Favored 'General case' 0 N--CA 1.463 0.194 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 178.5 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . 0.76 HG23 ' HB2' ' A' ' 102' ' ' ALA . 5.0 t -127.11 134.38 66.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 121.096 0.474 . . . . 0.0 111.95 -178.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . 0.428 ' OD1' ' O ' ' A' ' 137' ' ' ASN . 36.5 p-10 -89.56 109.51 20.45 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 108.864 -0.791 . . . . 0.0 108.864 178.31 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 29.9 p90 -64.42 -8.45 13.47 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 120.628 -0.429 . . . . 0.0 111.715 -178.542 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -59.82 -49.95 75.72 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 120.346 -0.542 . . . . 0.0 111.078 -178.836 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . 0.462 ' OE2' ' O ' ' A' ' 128' ' ' ALA . 24.2 pt-20 -62.23 -38.11 87.94 Favored 'General case' 0 N--CA 1.463 0.224 0 C-N-CA 120.438 -0.505 . . . . 0.0 110.729 -179.036 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -61.11 -42.61 98.83 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.568 -0.53 . . . . 0.0 109.568 179.153 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 56.0 t -63.23 -41.19 91.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 178.483 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . 0.519 ' O ' ' N ' ' A' ' 147' ' ' ALA . 88.0 mm-40 -61.55 -41.37 97.27 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.175 -0.676 . . . . 0.0 109.175 178.756 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 70.8 mtp -60.08 -44.46 94.75 Favored 'General case' 0 C--N 1.333 -0.116 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 179.015 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 65.3 mtt -71.52 -16.93 62.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.51 -0.768 . . . . 0.0 111.592 -179.798 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 146' ' ' THR . . . . . 0.732 HG21 ' HG2' ' A' ' 82' ' ' GLU . 70.7 p -122.05 13.92 10.58 Favored 'General case' 0 C--N 1.332 -0.191 0 C-N-CA 121.145 -0.222 . . . . 0.0 111.011 -179.463 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . 0.519 ' N ' ' O ' ' A' ' 143' ' ' GLN . . . -110.46 68.44 0.67 Allowed 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 109.836 -0.431 . . . . 0.0 109.836 179.077 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 9.8 tptp . . . . . 0 C--O 1.22 -0.462 0 CA-C-O 118.006 -0.997 . . . . 0.0 110.556 -179.643 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 30' ' ' PHE . . . . . 0.443 ' CD1' ' N ' ' B' ' 30' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.552 0 N-CA-C 109.052 -0.721 . . . . 0.0 109.052 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 66.2 t0 -88.51 68.28 8.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.024 -179.48 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . 0.409 HD13 HG21 ' B' ' 32' ' ' ILE . 1.6 pt -136.53 165.52 28.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 179.158 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 33' ' ' ASP . . . . . 0.476 ' OD2' ' HB2' ' B' ' 36' ' ' ALA . 60.1 t0 -82.99 82.66 8.14 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 120.391 -0.524 . . . . 0.0 109.698 179.455 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 34' ' ' MET . . . . . 0.586 ' CE ' HD11 ' A' ' 112' ' ' LEU . 94.9 mmm -62.42 -39.3 92.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.702 -179.46 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 66.7 t0 -61.52 -39.65 91.78 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.584 -0.735 . . . . 0.0 111.532 -179.175 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . 0.476 ' HB2' ' OD2' ' B' ' 33' ' ' ASP . . . -59.71 137.58 89.96 Favored Pre-proline 0 CA--C 1.536 0.431 0 C-N-CA 120.583 -0.447 . . . . 0.0 110.401 -179.102 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -70.14 -22.2 30.64 Favored 'Trans proline' 0 N--CA 1.493 1.464 0 C-N-CA 122.332 2.021 . . . . 0.0 112.866 -179.565 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 59.8 mp0 -62.24 -40.29 95.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.477 -179.606 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 95.2 m -62.46 -45.83 91.27 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.792 -0.363 . . . . 0.0 110.228 179.742 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -62.87 -43.06 99.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.106 179.589 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 18.7 mmm180 -63.32 -40.48 97.46 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.502 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -61.86 -40.21 94.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.09 179.71 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -61.68 -39.2 90.57 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.733 179.821 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 53.4 t -60.6 -47.22 93.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.507 -179.173 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -61.77 -45.78 92.42 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.694 -0.402 . . . . 0.0 111.234 -179.274 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 91.6 mt -63.61 -47.81 89.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-O 121.062 0.458 . . . . 0.0 110.573 179.763 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 47' ' ' GLN . . . . . 0.409 ' OE1' ' N ' ' A' ' 114' ' ' GLU . 76.6 mt-30 -66.7 -39.56 88.13 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.426 179.852 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 96.7 p -62.35 -40.76 97.47 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 120.668 -0.413 . . . . 0.0 110.529 -179.502 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 29.3 mm100 -69.23 -37.99 78.29 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.933 179.38 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 50' ' ' PHE . . . . . 0.417 ' CZ ' ' NE2' ' B' ' 54' ' ' GLN . 59.4 t80 -59.3 -49.25 78.54 Favored 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 120.762 -0.375 . . . . 0.0 110.639 -179.296 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 63.3 ttm-85 -61.3 -45.05 96.08 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 120.699 -0.4 . . . . 0.0 110.189 179.72 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -61.29 -41.21 96.57 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 179.548 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 53' ' ' PHE . . . . . . . . . . . . . 91.2 t80 -58.98 -46.19 88.72 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.106 179.678 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 54' ' ' GLN . . . . . 0.417 ' NE2' ' CZ ' ' B' ' 50' ' ' PHE . 91.4 mt-30 -61.9 -40.4 95.32 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.098 -179.798 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . 0.424 ' HD2' HE22 ' B' ' 61' ' ' GLN . 19.1 mmmt -61.94 -41.92 98.51 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.774 0.321 . . . . 0.0 110.967 -179.242 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 50.6 mtpt -67.28 -34.69 77.92 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.817 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 16.9 mmmt -60.31 -40.14 89.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.43 -179.019 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.88 -45.6 93.94 Favored 'General case' 0 C--N 1.332 -0.18 0 C-N-CA 120.395 -0.522 . . . . 0.0 110.611 -179.584 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 59.05 32.36 70.85 Favored Glycine 0 CA--C 1.527 0.815 0 C-N-CA 121.145 -0.55 . . . . 0.0 111.878 178.8 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 32.1 t -141.81 34.08 1.59 Allowed 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.39 -0.524 . . . . 0.0 111.628 -179.526 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 61' ' ' GLN . . . . . 0.424 HE22 ' HD2' ' B' ' 55' ' ' LYS . 97.6 mt-30 -115.85 13.35 16.04 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.947 179.457 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.22 -0.495 0 CA-C-O 118.059 -0.972 . . . . 0.0 110.552 179.795 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 26.0 ttt . . . . . 0 N--CA 1.49 1.555 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 64.6 tttm -122.17 121.45 36.9 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.061 179.806 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -132.81 170.21 15.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.537 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.489 ' O ' ' C ' ' A' ' 80' ' ' ASP . 0.2 OUTLIER -42.17 -76.26 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.295 -179.97 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.489 ' C ' ' O ' ' A' ' 79' ' ' THR . 49.9 p-10 -16.12 120.96 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.529 0 O-C-N 124.054 0.846 . . . . 0.0 112.388 -179.235 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 68.7 m -81.04 -6.46 58.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.532 -0.758 . . . . 0.0 111.255 -179.506 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 3.2 pp20? -53.98 -31.7 51.67 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.184 0.516 . . . . 0.0 110.048 -179.758 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 24.2 pt-20 -69.88 -36.14 75.22 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.186 179.316 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -62.27 -47.49 84.12 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.551 -179.763 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 4.1 mm -65.28 -39.06 84.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 121.293 0.568 . . . . 0.0 109.491 178.651 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 79.9 ttt180 -59.64 -36.81 77.11 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.051 -0.977 . . . . 0.0 110.722 179.859 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -57.02 -41.21 78.15 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.831 -0.433 . . . . 0.0 109.831 -179.467 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -59.86 -34.63 73.37 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.549 179.324 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.402 ' O ' ' N ' ' A' ' 92' ' ' PHE . 60.7 m-85 -73.63 -41.6 62.56 Favored 'General case' 0 C--N 1.332 -0.184 0 C-N-CA 120.469 -0.492 . . . . 0.0 110.194 178.074 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -43.08 -30.11 0.41 Allowed 'General case' 0 CA--C 1.52 -0.179 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.129 -179.203 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 53.1 t -61.94 -41.26 90.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.706 179.616 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.427 ' CD1' ' OE1' ' A' ' 104' ' ' GLU . 23.1 m-85 -82.52 -27.72 31.54 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.495 -0.482 . . . . 0.0 110.056 179.461 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 67.9 t0 -92.02 96.51 10.39 Favored 'General case' 0 C--N 1.333 -0.13 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 178.802 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 60.8 mttt -97.87 -17.28 19.37 Favored 'General case' 0 CA--C 1.514 -0.43 0 CA-C-O 121.096 0.474 . . . . 0.0 110.1 -179.261 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 74.1 m-20 -80.49 -26.95 37.9 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.49 -0.777 . . . . 0.0 109.306 179.023 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 69.66 30.79 70.56 Favored Glycine 0 CA--C 1.523 0.536 0 N-CA-C 110.327 -1.109 . . . . 0.0 110.327 -179.663 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -94.86 -1.35 52.88 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 121.109 -0.236 . . . . 0.0 110.723 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . 0.415 ' C ' ' CD1' ' A' ' 99' ' ' TYR . . . 93.64 10.37 59.14 Favored Glycine 0 CA--C 1.529 0.91 0 C-N-CA 120.918 -0.658 . . . . 0.0 111.652 179.823 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.447 ' CD1' ' N ' ' A' ' 99' ' ' TYR . 17.8 m-85 -137.01 158.22 44.95 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-O 121.205 0.526 . . . . 0.0 112.239 -179.497 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.4 HG21 HD13 ' A' ' 100' ' ' ILE . 0.6 OUTLIER -130.41 146.38 34.13 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.093 0 N-CA-C 107.42 -1.326 . . . . 0.0 107.42 177.335 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 43.6 t -59.12 131.04 49.85 Favored 'General case' 0 C--N 1.323 -0.572 0 C-N-CA 119.685 -0.806 . . . . 0.0 109.986 -179.562 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.667 ' HB2' HG23 ' A' ' 136' ' ' VAL . . . -63.64 -36.9 85.36 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.126 0.488 . . . . 0.0 110.607 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -59.52 -41.98 91.22 Favored 'General case' 0 CA--C 1.535 0.388 0 N-CA-C 112.772 0.656 . . . . 0.0 112.772 -178.012 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.502 ' O ' HG23 ' A' ' 108' ' ' VAL . 0.7 OUTLIER -66.48 -28.66 68.75 Favored 'General case' 0 N--CA 1.465 0.299 0 C-N-CA 120.261 -0.576 . . . . 0.0 110.686 -179.289 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 1.8 tt -61.9 -48.58 79.81 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.064 -179.729 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.547 ' CD ' HG11 ' A' ' 121' ' ' VAL . 14.5 tpt180 -55.9 -51.08 68.88 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.421 -179.812 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . 0.612 ' CD2' ' CE2' ' B' ' 30' ' ' PHE . 81.3 t60 -64.63 -47.72 77.5 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.18 0.514 . . . . 0.0 111.637 179.551 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.502 HG23 ' O ' ' A' ' 104' ' ' GLU . 53.1 t -62.45 -39.19 83.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.717 -0.674 . . . . 0.0 112.815 -178.707 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.11 -29.56 65.41 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 120.681 -0.408 . . . . 0.0 111.608 -179.378 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.664 ' CG2' HG21 ' A' ' 121' ' ' VAL . 57.2 p -105.55 -13.2 15.68 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 112.474 0.546 . . . . 0.0 112.474 -178.092 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . 0.575 ' ND2' ' CE1' ' A' ' 107' ' ' HIS . 65.0 t30 -104.15 -38.23 7.0 Favored 'General case' 0 N--CA 1.464 0.261 0 N-CA-C 112.051 0.389 . . . . 0.0 112.051 -179.348 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.878 HD11 ' SD ' ' B' ' 34' ' ' MET . 84.5 mt -111.21 -178.69 3.52 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.194 0.521 . . . . 0.0 111.476 -179.128 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 64.27 -123.37 27.57 Favored Glycine 0 CA--C 1.525 0.673 0 CA-C-N 115.322 -0.854 . . . . 0.0 112.679 178.836 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . 0.427 ' O ' ' O ' ' A' ' 115' ' ' LYS . 98.6 mt-10 -100.92 12.81 36.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.009 0.433 . . . . 0.0 111.196 -179.046 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.427 ' O ' ' O ' ' A' ' 114' ' ' GLU . 92.7 mttt 48.99 103.31 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.641 -0.708 . . . . 0.0 111.023 179.795 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.577 HD12 ' HB3' ' A' ' 120' ' ' GLU . 4.5 mm? -92.79 157.73 16.26 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.096 179.821 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . 0.478 ' O ' HG23 ' A' ' 121' ' ' VAL . 69.2 p -91.53 169.87 10.4 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 109.697 -0.483 . . . . 0.0 109.697 178.903 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -59.56 -39.99 85.84 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.754 -0.378 . . . . 0.0 110.583 -179.565 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 53.2 tp10 -62.27 -43.25 99.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.34 179.818 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . 0.577 ' HB3' HD12 ' A' ' 116' ' ' LEU . 77.6 mm-40 -67.94 -41.41 82.56 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.002 0.429 . . . . 0.0 110.302 179.134 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.664 HG21 ' CG2' ' A' ' 110' ' ' THR . 71.2 t -66.07 -44.04 92.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.569 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 68.1 t0 -57.59 -42.76 83.83 Favored 'General case' 0 C--N 1.323 -0.548 0 C-N-CA 120.226 -0.59 . . . . 0.0 109.949 -178.714 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 53.7 tp10 -62.05 -39.53 92.69 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 178.847 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . 0.615 ' SD ' ' CD1' ' B' ' 50' ' ' PHE . 47.4 mmm -64.87 -39.46 93.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.053 179.099 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . 0.539 HD13 HG12 ' A' ' 121' ' ' VAL . 0.8 OUTLIER -61.87 -40.49 87.28 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.148 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.055 -179.275 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 12.6 tpt180 -60.98 -30.1 70.07 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.043 0.449 . . . . 0.0 109.811 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 -96.4 -1.8 46.87 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.402 179.094 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.438 ' O ' ' OD1' ' A' ' 129' ' ' ASP . . . -90.42 -78.75 0.37 Allowed 'General case' 0 CA--C 1.531 0.223 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.178 -179.299 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . 0.519 ' OD2' ' ND2' ' A' ' 137' ' ' ASN . 3.7 m-20 166.59 -92.67 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.505 0 CA-C-O 120.872 0.367 . . . . 0.0 111.849 179.77 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . 0.716 ' O ' HG22 ' A' ' 130' ' ' ILE . 96.1 mt 58.71 55.74 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.268 -177.688 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 65.5 t0 -82.92 68.2 9.31 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 179.287 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 43.72 28.81 1.18 Allowed Glycine 0 CA--C 1.523 0.577 0 N-CA-C 110.263 -1.135 . . . . 0.0 110.263 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -127.65 -20.46 3.94 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.575 0.226 . . . . 0.0 111.464 -179.39 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 76.2 23.68 70.66 Favored Glycine 0 CA--C 1.529 0.91 0 C-N-CA 120.861 -0.685 . . . . 0.0 112.245 179.446 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 16.1 pt20 -125.41 149.51 48.11 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-O 121.178 0.513 . . . . 0.0 110.868 179.535 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . 0.667 HG23 ' HB2' ' A' ' 102' ' ' ALA . 25.4 t -132.49 134.65 58.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 115.368 -0.833 . . . . 0.0 111.995 -179.097 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . 0.519 ' ND2' ' OD2' ' A' ' 129' ' ' ASP . 8.9 p30 -91.08 111.18 22.54 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.694 -0.685 . . . . 0.0 109.525 178.731 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 39.0 p90 -63.23 -8.7 8.86 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.568 -0.453 . . . . 0.0 111.583 -178.703 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 74.0 mm-40 -59.89 -49.83 76.14 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 120.156 -0.618 . . . . 0.0 110.978 -179.346 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 75.7 mm-40 -61.05 -39.37 89.58 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 120.709 0.29 . . . . 0.0 111.384 -179.102 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -63.03 -42.83 99.86 Favored 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 120.488 -0.485 . . . . 0.0 110.201 179.156 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . 0.413 ' O ' ' N ' ' A' ' 146' ' ' THR . 55.1 t -64.14 -39.2 84.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.599 179.021 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . 0.445 ' O ' ' N ' ' A' ' 147' ' ' ALA . 28.8 mm100 -59.89 -43.07 95.01 Favored 'General case' 0 C--N 1.331 -0.201 0 C-N-CA 120.234 -0.587 . . . . 0.0 109.587 179.714 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 73.3 mtm -61.27 -42.71 99.11 Favored 'General case' 0 C--N 1.333 -0.122 0 C-N-CA 119.979 -0.688 . . . . 0.0 109.158 178.748 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 56.3 mtt -73.82 -20.49 60.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.597 -0.729 . . . . 0.0 111.441 -179.859 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 146' ' ' THR . . . . . 0.413 ' N ' ' O ' ' A' ' 142' ' ' VAL . 2.1 m -111.44 9.14 21.39 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.967 -179.468 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . 0.445 ' N ' ' O ' ' A' ' 143' ' ' GLN . . . -107.36 76.62 1.09 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.45 179.793 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 2.8 mmtp . . . . . 0 C--O 1.22 -0.469 0 CA-C-O 118.038 -0.982 . . . . 0.0 110.482 -179.995 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 30' ' ' PHE . . . . . 0.612 ' CE2' ' CD2' ' A' ' 107' ' ' HIS . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.563 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 40.9 t0 -67.53 6.1 0.68 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.297 0.57 . . . . 0.0 109.558 179.055 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . 0.762 ' N ' HD12 ' B' ' 32' ' ' ILE . 1.9 mp -77.69 126.93 38.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.213 -0.903 . . . . 0.0 110.59 -179.737 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 33' ' ' ASP . . . . . 0.445 ' N ' ' OD1' ' B' ' 33' ' ' ASP . 13.7 p-10 -79.92 136.96 36.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.762 -179.858 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 34' ' ' MET . . . . . 0.878 ' SD ' HD11 ' A' ' 112' ' ' LEU . 15.3 mmt -102.64 -15.8 16.24 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.361 179.641 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -62.45 -39.77 94.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.565 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -67.06 131.55 93.73 Favored Pre-proline 0 CA--C 1.537 0.466 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.27 -179.826 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -70.92 -21.49 28.03 Favored 'Trans proline' 0 N--CA 1.493 1.442 0 C-N-CA 121.978 1.786 . . . . 0.0 112.691 -179.762 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -62.57 -40.31 96.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.926 -179.512 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 96.7 m -62.4 -45.15 94.42 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.548 -179.75 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -61.88 -43.53 98.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.154 179.802 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 18.2 mmm180 -63.4 -40.52 97.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.65 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -61.92 -40.75 96.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.584 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -61.86 -39.48 92.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.661 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 53.5 t -61.47 -45.17 99.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.473 -179.464 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -60.83 -46.98 88.42 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.627 -0.429 . . . . 0.0 111.032 -179.279 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 92.1 mt -67.32 -47.68 80.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 C-N-CA 120.82 -0.352 . . . . 0.0 111.166 179.811 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 77.1 mt-30 -65.52 -41.14 93.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.985 -179.741 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 48.2 t -62.4 -44.21 97.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.101 0.477 . . . . 0.0 110.061 179.537 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 72.2 tp60 -63.38 -38.34 90.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.501 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 50' ' ' PHE . . . . . 0.615 ' CD1' ' SD ' ' A' ' 124' ' ' MET . 44.9 t80 -58.71 -48.05 82.47 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.374 -179.173 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 83.2 mtp180 -61.24 -41.0 96.13 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.356 -0.538 . . . . 0.0 110.306 -179.747 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 65.2 tttp -62.14 -41.57 98.4 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 179.122 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 53' ' ' PHE . . . . . . . . . . . . . 90.2 t80 -59.34 -45.88 90.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.608 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 54' ' ' GLN . . . . . 0.4 ' NE2' ' OE1' ' A' ' 120' ' ' GLU . 87.5 mt-30 -61.29 -39.42 90.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.759 -179.396 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -61.02 -39.51 90.02 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.799 -0.361 . . . . 0.0 110.356 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 25.6 mmtp -62.1 -39.76 93.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.192 179.778 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 26.8 tptp -61.11 -43.16 99.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.165 179.822 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -80.7 8.21 8.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.694 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 59' ' ' GLY . . . . . 0.4 ' O ' ' CB ' ' B' ' 60' ' ' SER . . . -59.5 -39.38 94.86 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 110.835 -0.906 . . . . 0.0 110.835 -179.738 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 60' ' ' SER . . . . . 0.4 ' CB ' ' O ' ' B' ' 59' ' ' GLY . 1.5 t 76.58 79.91 0.09 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.213 0.53 . . . . 0.0 110.777 179.827 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 64.2 tt0 -61.54 -41.1 96.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.492 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 44.1 t . . . . . 0 C--O 1.22 -0.466 0 CA-C-O 117.996 -1.002 . . . . 0.0 110.553 179.979 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 17.6 mtm . . . . . 0 N--CA 1.49 1.557 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.15 154.97 41.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.655 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 53.5 p30 -83.69 -176.78 6.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.007 -179.721 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.426 HG23 ' O ' ' A' ' 79' ' ' THR . 7.7 t -56.68 128.08 34.64 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.535 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 68.3 t0 -105.8 110.03 22.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.768 -179.713 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 90.7 p -72.43 -8.71 56.47 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.445 179.654 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -53.25 -38.28 62.85 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 -179.582 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 22.1 pt-20 -64.0 -34.61 78.39 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.6 179.505 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -62.13 -47.9 82.54 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-O 120.916 0.388 . . . . 0.0 110.647 -179.374 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 4.3 mm -65.28 -38.39 82.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.042 -0.526 . . . . 0.0 109.827 179.045 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 42.1 ttm180 -59.3 -38.38 80.1 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.448 -0.796 . . . . 0.0 111.001 179.684 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 53.6 tp10 -56.64 -39.16 73.21 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 -179.625 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.54 -36.49 78.55 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.712 179.496 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 71.9 m-85 -75.88 -40.26 54.88 Favored 'General case' 0 C--N 1.332 -0.19 0 C-N-CA 120.686 -0.406 . . . . 0.0 110.69 178.625 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -49.31 -27.86 4.3 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.659 -178.318 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 55.1 t -61.41 -39.59 83.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 C-N-CA 121.063 -0.255 . . . . 0.0 110.782 179.102 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 28.8 m-85 -85.5 -22.47 28.17 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.649 -0.421 . . . . 0.0 111.079 -179.577 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 63.9 t0 -89.03 74.69 8.08 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 179.264 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 64.2 pttt -71.39 -28.21 63.87 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.925 0.393 . . . . 0.0 111.476 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -72.42 -25.84 61.63 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.83 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 69.36 27.16 73.89 Favored Glycine 0 CA--C 1.526 0.747 0 N-CA-C 110.625 -0.99 . . . . 0.0 110.625 -179.798 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -92.52 -3.01 55.78 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.677 0.275 . . . . 0.0 110.889 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 97.24 -5.67 63.17 Favored Glycine 0 CA--C 1.528 0.873 0 N-CA-C 111.433 -0.667 . . . . 0.0 111.433 -179.83 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.501 ' CD1' ' N ' ' A' ' 99' ' ' TYR . 12.8 m-85 -122.34 160.41 25.43 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.103 0.478 . . . . 0.0 111.378 -178.63 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -131.67 145.9 34.33 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 N-CA-C 108.079 -1.082 . . . . 0.0 108.079 178.527 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 68.8 m -57.52 130.02 44.44 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 120.028 -0.669 . . . . 0.0 110.448 -179.342 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.457 ' HB2' HG23 ' A' ' 136' ' ' VAL . . . -63.33 -39.72 95.34 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.118 0.485 . . . . 0.0 110.769 179.778 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -57.44 -42.93 83.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.683 -0.69 . . . . 0.0 109.734 -178.843 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 -60.03 -39.24 85.22 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.073 179.111 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 13.2 tp -59.58 -47.86 83.93 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.671 0.272 . . . . 0.0 110.456 -178.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.694 ' NH1' HG21 ' A' ' 110' ' ' THR . 44.9 tpt85 -57.05 -49.5 75.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.562 -0.29 . . . . 0.0 110.534 -179.367 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . 0.584 ' NE2' ' ND2' ' A' ' 111' ' ' ASN . 85.7 t60 -63.11 -49.12 75.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.105 0.479 . . . . 0.0 111.602 179.538 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 50.8 t -62.16 -38.63 81.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.691 -0.686 . . . . 0.0 112.658 -179.06 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . 0.405 ' N ' ' SD ' ' A' ' 109' ' ' MET . 0.0 OUTLIER -68.97 -32.67 72.43 Favored 'General case' 0 C--N 1.321 -0.634 0 C-N-CA 120.723 -0.391 . . . . 0.0 111.377 -179.657 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.694 HG21 ' NH1' ' A' ' 106' ' ' ARG . 41.0 p -106.24 -12.06 15.84 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 112.648 0.61 . . . . 0.0 112.648 -177.799 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . 0.584 ' ND2' ' NE2' ' A' ' 107' ' ' HIS . 65.5 t30 -103.88 -33.65 8.79 Favored 'General case' 0 N--CA 1.466 0.342 0 C-N-CA 120.701 -0.399 . . . . 0.0 112.051 -179.564 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.927 HD11 ' SD ' ' B' ' 34' ' ' MET . 84.2 mt -116.97 -177.76 3.28 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.403 0.621 . . . . 0.0 111.512 -178.795 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 62.45 -127.17 39.25 Favored Glycine 0 CA--C 1.526 0.721 0 CA-C-N 114.983 -1.008 . . . . 0.0 112.571 178.862 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . 0.485 ' N ' ' OE1' ' B' ' 47' ' ' GLN . 80.5 mm-40 -92.89 9.33 35.88 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.996 0.427 . . . . 0.0 111.22 -178.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 10.8 mmmt 52.39 100.09 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.452 179.549 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.635 HD12 ' HB3' ' A' ' 120' ' ' GLU . 4.5 mm? -90.93 156.36 18.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.28 179.858 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 67.6 p -92.66 171.01 9.28 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.8 -0.445 . . . . 0.0 109.8 178.862 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . 0.518 ' OD1' ' NH2' ' A' ' 106' ' ' ARG . 98.5 m-20 -60.28 -40.16 89.43 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 120.604 -0.438 . . . . 0.0 110.262 -179.866 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -61.4 -43.16 99.34 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.669 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . 0.635 ' HB3' HD12 ' A' ' 116' ' ' LEU . 14.4 mm-40 -69.35 -45.0 70.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.955 0.407 . . . . 0.0 110.728 179.406 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.704 HG12 HD13 ' A' ' 125' ' ' ILE . 82.8 t -64.85 -42.83 95.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.48 -179.444 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -49.79 -41.36 44.29 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 120.313 -0.555 . . . . 0.0 110.395 -177.721 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 78.9 mm-40 -66.55 -31.42 72.12 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.22 0.533 . . . . 0.0 109.78 178.686 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 94.6 mtp -76.06 -30.31 58.33 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.084 179.489 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . 0.704 HD13 HG12 ' A' ' 121' ' ' VAL . 1.0 OUTLIER -61.2 -41.6 90.16 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.149 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.965 -179.35 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 20.8 mmm-85 -61.79 -63.58 1.22 Allowed 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.228 -0.589 . . . . 0.0 110.142 -179.519 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . 0.436 ' O ' ' OE2' ' A' ' 140' ' ' GLU . 79.9 mm-40 -60.07 -6.96 1.56 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.434 -178.644 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.596 ' HB1' ' CG2' ' A' ' 136' ' ' VAL . . . -77.9 -75.66 0.21 Allowed 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.834 -0.347 . . . . 0.0 110.887 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . 0.464 ' CG ' ' N ' ' A' ' 130' ' ' ILE . 2.4 t70 162.91 -85.05 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.35 0 CA-C-O 121.425 0.631 . . . . 0.0 110.616 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . 0.464 ' N ' ' CG ' ' A' ' 129' ' ' ASP . 0.5 OUTLIER 36.52 42.71 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 114.956 -1.02 . . . . 0.0 110.982 -179.056 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -60.86 -39.41 89.03 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 179.088 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . 0.42 ' O ' ' OD1' ' A' ' 133' ' ' ASP . . . 165.67 31.56 0.02 OUTLIER Glycine 0 CA--C 1.522 0.517 0 N-CA-C 110.578 -1.009 . . . . 0.0 110.578 179.798 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . 0.42 ' OD1' ' O ' ' A' ' 132' ' ' GLY . 97.3 m-20 -136.28 -10.81 1.94 Allowed 'General case' 0 CA--C 1.53 0.179 0 C-N-CA 120.92 -0.312 . . . . 0.0 111.238 179.633 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 70.8 32.88 66.51 Favored Glycine 0 CA--C 1.528 0.863 0 C-N-CA 120.985 -0.626 . . . . 0.0 112.476 179.185 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . 0.42 ' O ' ' OD2' ' A' ' 129' ' ' ASP . 1.0 OUTLIER -128.72 151.0 50.03 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 121.353 0.597 . . . . 0.0 111.288 179.59 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . 0.596 ' CG2' ' HB1' ' A' ' 128' ' ' ALA . 27.3 t -132.45 134.06 59.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.187 -0.915 . . . . 0.0 111.949 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -91.99 110.94 22.31 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 108.645 -0.872 . . . . 0.0 108.645 178.663 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 33.2 p90 -65.0 -10.11 26.95 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 112.659 0.614 . . . . 0.0 112.659 -178.182 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -60.86 -50.5 73.19 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 119.984 -0.686 . . . . 0.0 111.793 -178.654 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . 0.436 ' OE2' ' O ' ' A' ' 127' ' ' GLU . 20.9 pt-20 -63.52 -36.91 85.35 Favored 'General case' 0 N--CA 1.465 0.286 0 C-N-CA 120.616 -0.434 . . . . 0.0 111.187 -178.904 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -62.1 -47.08 86.21 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 178.583 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . 0.426 ' O ' ' N ' ' A' ' 146' ' ' THR . 59.4 t -62.97 -43.88 99.32 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.796 179.537 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -62.13 -40.95 97.64 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 108.442 -0.947 . . . . 0.0 108.442 178.891 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 2.0 ttp -63.75 -48.25 77.73 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.106 -0.952 . . . . 0.0 109.551 178.13 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 62.4 mtt -70.0 -28.68 65.71 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.424 179.794 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 146' ' ' THR . . . . . 0.426 ' N ' ' O ' ' A' ' 142' ' ' VAL . 3.7 m -95.15 23.57 5.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.957 0.408 . . . . 0.0 110.109 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . 0.467 ' O ' ' CB ' ' A' ' 148' ' ' LYS . . . -140.21 173.73 11.22 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.126 -179.798 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . 0.467 ' CB ' ' O ' ' A' ' 147' ' ' ALA . 9.6 tptp . . . . . 0 C--O 1.22 -0.46 0 CA-C-O 118.023 -0.989 . . . . 0.0 110.518 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 30' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 . . . . . 0 N--CA 1.49 1.533 0 N-CA-C 109.268 -0.641 . . . . 0.0 109.268 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 67.5 m-20 59.02 32.65 22.45 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 121.198 0.523 . . . . 0.0 109.612 -178.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 59.2 mt -127.67 125.01 64.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.327 -0.851 . . . . 0.0 110.413 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -71.94 138.21 47.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.88 0.372 . . . . 0.0 111.125 -179.819 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 34' ' ' MET . . . . . 0.927 ' SD ' HD11 ' A' ' 112' ' ' LEU . 25.5 mmt -97.67 -2.03 42.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.176 179.184 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -90.44 1.22 56.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.107 -179.237 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -92.35 112.09 53.64 Favored Pre-proline 0 CA--C 1.539 0.53 0 CA-C-N 116.548 -0.297 . . . . 0.0 110.669 -179.665 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_exo -52.26 -35.12 62.57 Favored 'Trans proline' 0 N--CA 1.497 1.718 0 C-N-CA 121.778 1.652 . . . . 0.0 112.197 179.288 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 78.8 mm-40 -61.23 -40.21 93.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.455 -179.366 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 97.2 m -61.82 -46.44 89.47 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.77 -0.372 . . . . 0.0 110.262 179.792 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -64.49 -40.44 95.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.529 179.627 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 30.9 mmt180 -63.57 -39.93 95.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.548 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -61.48 -40.66 95.34 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.263 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -61.95 -40.45 95.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.737 179.787 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 57.8 t -61.4 -47.75 91.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.338 -179.381 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 45' ' ' ALA . . . . . 0.455 ' O ' ' OE1' ' B' ' 49' ' ' GLN . . . -62.38 -45.1 94.69 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.775 -0.37 . . . . 0.0 111.063 -179.531 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 93.8 mt -63.06 -46.96 94.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-O 120.924 0.392 . . . . 0.0 110.498 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 47' ' ' GLN . . . . . 0.485 ' OE1' ' N ' ' A' ' 114' ' ' GLU . 76.7 mt-30 -65.76 -37.96 87.76 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.835 -0.62 . . . . 0.0 111.387 179.492 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 48' ' ' SER . . . . . 0.52 ' OG ' ' NZ ' ' B' ' 52' ' ' LYS . 48.4 t -59.53 -45.95 90.28 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.769 -0.373 . . . . 0.0 110.642 -179.291 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . 0.455 ' OE1' ' O ' ' B' ' 45' ' ' ALA . 7.3 mp0 -64.96 -36.15 83.48 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.785 -0.366 . . . . 0.0 111.068 179.488 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 59.3 t80 -59.06 -47.8 83.93 Favored 'General case' 0 C--N 1.332 -0.159 0 C-N-CA 120.481 -0.488 . . . . 0.0 110.085 179.808 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 51' ' ' ARG . . . . . 0.437 ' HE ' ' HZ3' ' B' ' 55' ' ' LYS . 82.0 mtp180 -62.17 -40.45 96.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.929 0.395 . . . . 0.0 110.273 179.645 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 52' ' ' LYS . . . . . 0.52 ' NZ ' ' OG ' ' B' ' 48' ' ' SER . 62.7 mttp -63.98 -38.52 91.37 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.953 179.55 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 53' ' ' PHE . . . . . . . . . . . . . 68.1 t80 -59.31 -49.02 79.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.297 -178.854 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 17.9 pt20 -71.35 -38.14 71.62 Favored 'General case' 0 C--N 1.331 -0.212 0 C-N-CA 120.613 -0.435 . . . . 0.0 111.546 -179.445 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . 0.437 ' HZ3' ' HE ' ' B' ' 51' ' ' ARG . 62.1 mttp -63.89 -40.1 95.73 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 120.642 -0.423 . . . . 0.0 110.838 179.415 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 61.6 mmtt -62.72 -39.8 95.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.27 179.703 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 64.5 tttm -61.03 -43.92 98.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.242 179.751 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -102.01 55.64 0.8 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.603 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . -60.88 -40.05 97.76 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 110.696 -0.962 . . . . 0.0 110.696 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 74.3 m -62.06 -39.64 93.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.744 0.307 . . . . 0.0 110.341 179.806 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 49.6 tt0 60.66 89.92 0.07 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.585 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 73.5 p . . . . . 0 C--O 1.22 -0.469 0 CA-C-O 118.032 -0.985 . . . . 0.0 110.523 179.975 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 63.7 tpp . . . . . 0 N--CA 1.491 1.599 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 58.6 mtpt -131.57 -124.64 0.2 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.602 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 59.0 p30 -97.88 13.74 29.59 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.557 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 57.6 p -47.62 109.08 0.19 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.883 0.373 . . . . 0.0 110.224 -179.739 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.419 ' O ' ' CG ' ' A' ' 83' ' ' GLU . 97.8 m-20 -113.65 154.94 26.41 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.952 -179.644 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 70.9 m -82.51 -5.84 58.96 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.724 179.422 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.475 ' CD ' ' N ' ' A' ' 83' ' ' GLU . 3.2 pp20? -58.45 -35.2 71.78 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 120.271 -0.572 . . . . 0.0 109.831 179.892 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.475 ' N ' ' CD ' ' A' ' 82' ' ' GLU . 0.5 OUTLIER -68.3 -36.28 79.09 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.51 179.198 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -62.51 -41.37 98.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.081 0.467 . . . . 0.0 109.94 179.515 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 38.5 mm -64.81 -42.42 94.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.381 179.278 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -59.88 -36.05 76.12 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.143 -179.648 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -55.87 -40.29 72.74 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.4 -36.87 81.5 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.568 178.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 68.8 m-85 -75.75 -42.78 49.48 Favored 'General case' 0 C--O 1.231 0.118 0 C-N-CA 120.567 -0.453 . . . . 0.0 110.529 178.683 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -48.21 -24.27 1.11 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.5 -178.62 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 55.3 t -62.34 -39.46 84.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-O 120.709 0.29 . . . . 0.0 110.466 178.588 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 27.0 m-85 -87.68 -26.54 22.94 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.367 -0.378 . . . . 0.0 110.874 -179.695 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 45.4 t0 -88.71 71.4 8.75 Favored 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 179.254 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 26.4 pttm -71.1 -20.13 62.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.857 0.361 . . . . 0.0 111.738 -179.695 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -80.0 -26.55 39.85 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.502 179.77 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 69.14 29.42 72.18 Favored Glycine 0 CA--C 1.526 0.742 0 N-CA-C 110.642 -0.983 . . . . 0.0 110.642 -179.806 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . 0.423 ' OD1' ' N ' ' A' ' 99' ' ' TYR . 54.8 p30 -94.71 -0.51 54.25 Favored 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 120.972 -0.291 . . . . 0.0 110.663 179.571 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 92.94 8.55 61.71 Favored Glycine 0 CA--C 1.529 0.939 0 C-N-CA 121.129 -0.558 . . . . 0.0 111.866 179.627 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.457 ' CD1' ' N ' ' A' ' 99' ' ' TYR . 16.9 m-85 -136.22 158.16 45.08 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-O 121.076 0.465 . . . . 0.0 111.5 -179.841 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -131.34 146.49 33.64 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.111 0 N-CA-C 108.031 -1.1 . . . . 0.0 108.031 178.168 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 36.2 t -59.06 130.29 46.27 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 119.794 -0.763 . . . . 0.0 110.158 -179.761 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.716 ' HB2' HG23 ' A' ' 136' ' ' VAL . . . -64.06 -38.4 90.94 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.918 0.39 . . . . 0.0 110.951 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -60.34 -41.57 93.89 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.092 -0.504 . . . . 0.0 112.283 -178.403 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.623 ' O ' HG23 ' A' ' 108' ' ' VAL . 4.3 pt-20 -69.08 -31.02 69.46 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.455 -0.498 . . . . 0.0 110.522 -179.16 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 4.1 tt -61.32 -49.23 77.83 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.2 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.435 ' HE ' HG11 ' A' ' 121' ' ' VAL . 0.0 OUTLIER -57.13 -51.03 70.93 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 120.611 -0.435 . . . . 0.0 110.255 -179.77 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . 0.511 ' CE1' ' ND2' ' A' ' 111' ' ' ASN . 78.1 t60 -59.54 -46.57 88.5 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.25 0.547 . . . . 0.0 110.419 179.279 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.623 HG23 ' O ' ' A' ' 104' ' ' GLU . 58.0 t -62.77 -39.37 84.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 115.396 -0.82 . . . . 0.0 111.313 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.74 -29.67 64.78 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.901 -0.591 . . . . 0.0 111.804 -179.64 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.492 ' CG2' HG21 ' A' ' 121' ' ' VAL . 64.1 p -104.88 -15.61 15.12 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 112.275 0.472 . . . . 0.0 112.275 -178.392 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . 0.511 ' ND2' ' CE1' ' A' ' 107' ' ' HIS . 60.0 t30 -106.16 -26.51 11.55 Favored 'General case' 0 N--CA 1.465 0.291 0 N-CA-C 112.29 0.478 . . . . 0.0 112.29 -178.9 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 77.6 mt -121.86 -178.26 3.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.395 0.617 . . . . 0.0 111.67 -178.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 61.7 -123.66 32.37 Favored Glycine 0 CA--C 1.524 0.614 0 CA-C-N 114.897 -1.047 . . . . 0.0 112.381 178.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . 0.5 ' N ' ' OE1' ' B' ' 47' ' ' GLN . 79.6 mm-40 -97.15 12.32 33.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.813 0.339 . . . . 0.0 111.23 -179.106 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.457 ' O ' ' O ' ' A' ' 114' ' ' GLU . 51.3 mttp 47.58 104.1 0.0 OUTLIER 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.749 -0.659 . . . . 0.0 111.043 179.544 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.621 HD12 ' HB3' ' A' ' 120' ' ' GLU . 4.5 mm? -92.57 156.14 17.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.245 179.891 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . 0.61 ' O ' HG23 ' A' ' 121' ' ' VAL . 69.9 p -91.7 170.4 9.94 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 109.835 -0.432 . . . . 0.0 109.835 179.292 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -59.04 -41.5 88.0 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.747 -0.381 . . . . 0.0 110.763 -179.072 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -63.14 -42.58 99.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.577 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . 0.621 ' HB3' HD12 ' A' ' 116' ' ' LEU . 76.3 mm-40 -67.09 -39.64 86.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.279 0.561 . . . . 0.0 109.727 178.658 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.61 HG23 ' O ' ' A' ' 117' ' ' THR . 51.6 t -61.06 -44.69 98.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.182 -0.917 . . . . 0.0 110.765 179.659 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -57.96 -42.14 84.33 Favored 'General case' 0 C--N 1.32 -0.685 0 C-N-CA 120.319 -0.552 . . . . 0.0 109.804 -179.467 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -63.11 -40.07 96.54 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 178.689 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . 0.601 ' SD ' ' CD1' ' B' ' 50' ' ' PHE . 36.5 mmm -65.34 -41.15 94.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.055 -0.975 . . . . 0.0 110.702 -179.882 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . 0.454 HD13 HG12 ' A' ' 121' ' ' VAL . 0.9 OUTLIER -68.13 -34.87 69.06 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.155 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.658 -179.717 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 61.6 ttp180 -60.34 -33.77 72.89 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.067 0.461 . . . . 0.0 110.355 179.866 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 -96.42 -3.49 43.42 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.0 179.448 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.404 ' O ' ' CG ' ' A' ' 129' ' ' ASP . . . -86.3 -75.61 0.38 Allowed 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 112.048 0.388 . . . . 0.0 112.048 -178.607 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . 0.404 ' CG ' ' O ' ' A' ' 128' ' ' ALA . 1.0 OUTLIER 168.97 -90.26 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.442 0 CA-C-O 121.128 0.489 . . . . 0.0 112.267 -179.818 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . 0.729 ' O ' HG22 ' A' ' 130' ' ' ILE . 68.9 mt 38.43 43.64 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.929 -177.843 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 68.3 t0 -59.47 -43.53 93.21 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 108.344 -0.984 . . . . 0.0 108.344 178.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 168.28 25.34 0.02 OUTLIER Glycine 0 CA--C 1.521 0.46 0 N-CA-C 110.114 -1.194 . . . . 0.0 110.114 179.607 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 67.1 m-20 -117.13 -23.83 7.77 Favored 'General case' 0 C--O 1.231 0.108 0 N-CA-C 111.797 0.295 . . . . 0.0 111.797 -179.755 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 82.88 14.53 75.07 Favored Glycine 0 CA--C 1.529 0.953 0 C-N-CA 120.711 -0.757 . . . . 0.0 111.995 179.589 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 12.0 pt20 -125.68 151.47 46.53 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-O 121.119 0.485 . . . . 0.0 110.633 179.249 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . 0.716 HG23 ' HB2' ' A' ' 102' ' ' ALA . 43.9 t -128.12 134.46 65.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.455 -0.793 . . . . 0.0 111.84 -178.809 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . 0.44 ' OD1' ' O ' ' A' ' 137' ' ' ASN . 37.6 p-10 -93.08 110.71 22.19 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.574 178.491 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 37.8 p90 -60.96 -7.6 2.56 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.79 -0.364 . . . . 0.0 111.813 -178.783 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -59.94 -49.64 76.88 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 120.028 -0.669 . . . . 0.0 110.581 -179.28 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -60.55 -42.09 95.85 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 121.01 -0.276 . . . . 0.0 111.057 -179.229 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -59.63 -47.69 84.6 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 179.122 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 54.3 t -62.93 -44.43 99.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.099 179.424 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -61.86 -40.34 95.0 Favored 'General case' 0 N--CA 1.454 -0.238 0 N-CA-C 108.315 -0.995 . . . . 0.0 108.315 178.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 5.9 ttp -62.01 -47.9 82.7 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 114.813 -1.085 . . . . 0.0 109.701 178.132 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 64.9 mtt -70.55 -22.77 62.56 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 112.002 0.371 . . . . 0.0 112.002 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 76.3 p -101.15 22.31 12.55 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 121.0 -0.28 . . . . 0.0 110.741 -179.395 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -106.68 68.58 0.75 Allowed 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 178.877 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 4.6 tmtp? . . . . . 0 C--O 1.219 -0.521 0 CA-C-O 118.053 -0.975 . . . . 0.0 110.457 -179.332 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 30' ' ' PHE . . . . . 0.468 ' CD1' ' N ' ' B' ' 30' ' ' PHE . 0.6 OUTLIER . . . . . 0 N--CA 1.49 1.534 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -92.62 1.61 57.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.367 179.82 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . 0.436 ' H ' HG23 ' B' ' 32' ' ' ILE . 1.5 pt -61.59 170.86 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.39 -179.446 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 65.5 m-20 -85.95 83.71 7.72 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 178.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 34' ' ' MET . . . . . . . . . . . . . 95.3 mtp -67.14 -27.78 67.59 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.829 -179.303 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 55.5 p30 -73.87 0.53 13.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.215 -179.775 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -90.35 113.7 58.44 Favored Pre-proline 0 CA--C 1.539 0.542 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.193 179.704 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 80.0 Cg_exo -50.54 -32.65 35.82 Favored 'Trans proline' 0 N--CA 1.498 1.772 0 C-N-CA 121.9 1.733 . . . . 0.0 112.305 179.289 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -60.87 -39.17 88.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.818 -179.424 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 93.9 m -61.9 -43.81 98.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.849 0.357 . . . . 0.0 110.388 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -61.98 -40.26 95.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.652 -179.61 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 31.7 mmt180 -63.2 -39.88 95.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.798 0.332 . . . . 0.0 110.28 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -61.87 -39.86 93.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.219 179.58 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -61.02 -39.58 90.31 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.624 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 57.5 t -61.34 -46.6 96.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.488 -179.381 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -61.36 -45.78 92.98 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.597 -0.441 . . . . 0.0 110.978 -179.417 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 92.2 mt -64.09 -47.42 90.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.853 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 47' ' ' GLN . . . . . 0.5 ' OE1' ' N ' ' A' ' 114' ' ' GLU . 77.3 mt-30 -66.24 -39.1 89.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.355 179.85 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 74.5 m -61.24 -42.28 98.34 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.863 -0.335 . . . . 0.0 110.6 -179.635 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 96.8 mm-40 -64.71 -39.18 93.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.464 179.604 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 50' ' ' PHE . . . . . 0.601 ' CD1' ' SD ' ' A' ' 124' ' ' MET . 47.3 t80 -58.97 -47.37 85.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.639 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 89.1 mtm180 -60.94 -40.3 92.75 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.587 -0.445 . . . . 0.0 110.042 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 62.9 mttp -65.32 -39.2 92.16 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.929 179.626 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 53' ' ' PHE . . . . . . . . . . . . . 71.8 t80 -60.28 -49.44 77.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.662 -178.818 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 18.8 pt20 -68.3 -28.14 66.92 Favored 'General case' 0 C--N 1.332 -0.192 0 C-N-CA 120.751 -0.38 . . . . 0.0 111.099 -179.532 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 17.6 mmmt -62.52 -38.85 91.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.901 0.382 . . . . 0.0 110.198 179.149 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -59.66 -44.66 93.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.59 179.806 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 20.9 tptm -61.11 -42.31 98.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 109.82 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.17 -39.85 91.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.444 179.811 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 81.23 -170.19 52.3 Favored Glycine 0 CA--C 1.526 0.733 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 60' ' ' SER . . . . . 0.409 ' O ' ' N ' ' B' ' 62' ' ' SER . 40.8 t -125.52 133.6 52.3 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.855 0.36 . . . . 0.0 110.498 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 1.3 tp-100 43.81 23.65 0.06 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.438 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 62' ' ' SER . . . . . 0.409 ' N ' ' O ' ' B' ' 60' ' ' SER . 30.2 t . . . . . 0 C--O 1.22 -0.494 0 CA-C-O 118.037 -0.982 . . . . 0.0 110.59 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 83.7 mmm . . . . . 0 N--CA 1.49 1.545 0 N-CA-C 109.182 -0.673 . . . . 0.0 109.182 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.76 ' O ' HG23 ' A' ' 79' ' ' THR . 64.5 mttp -86.17 126.53 34.31 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.7 -179.867 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.517 ' OD1' ' N ' ' A' ' 78' ' ' ASP . 11.5 p-10 -45.62 92.78 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.885 -179.606 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.76 HG23 ' O ' ' A' ' 77' ' ' LYS . 67.0 p -123.77 -32.46 3.3 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.133 179.116 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.465 ' O ' ' OD1' ' A' ' 80' ' ' ASP . 58.7 p30 -108.87 136.47 48.36 Favored 'General case' 0 CA--C 1.529 0.167 0 CA-C-O 121.221 0.534 . . . . 0.0 111.543 -179.461 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 67.5 m -83.64 -6.29 59.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.434 179.344 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -56.58 -39.25 73.21 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.368 -0.604 . . . . 0.0 109.368 -179.527 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.407 ' CG ' ' N ' ' A' ' 84' ' ' GLU . 22.8 pt-20 -64.47 -38.14 89.98 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.559 179.508 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.407 ' N ' ' CG ' ' A' ' 83' ' ' GLU . 98.0 mt-10 -62.9 -46.29 88.53 Favored 'General case' 0 C--O 1.232 0.143 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.436 -179.226 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 4.2 mm -67.77 -39.01 81.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 178.662 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 41.8 ttm180 -59.56 -37.53 78.7 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.076 -0.965 . . . . 0.0 110.434 179.288 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -56.27 -39.88 73.35 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.634 -179.645 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -59.44 -32.74 70.49 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.539 179.344 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.437 ' O ' ' OD1' ' A' ' 93' ' ' ASP . 84.4 m-85 -79.73 -38.92 32.27 Favored 'General case' 0 CA--C 1.53 0.18 0 C-N-CA 120.656 -0.418 . . . . 0.0 110.064 178.144 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -53.86 -25.73 21.19 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.715 -178.671 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 54.9 t -60.43 -38.35 77.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 178.41 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 10.0 m-85 -88.88 -24.19 22.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.305 179.762 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.534 ' N ' ' OD1' ' A' ' 93' ' ' ASP . 0.0 OUTLIER -86.36 75.08 9.86 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-O 121.335 0.588 . . . . 0.0 110.174 179.921 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 19.5 mtpt -92.29 -18.81 22.87 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 59.8 t0 -70.54 -28.45 64.93 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.499 -0.773 . . . . 0.0 109.489 178.828 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 72.29 18.8 78.37 Favored Glycine 0 CA--C 1.526 0.758 0 CA-C-N 115.63 -0.714 . . . . 0.0 111.329 179.385 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 52.1 p-10 -90.65 -3.87 57.2 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.701 -0.4 . . . . 0.0 111.384 -179.788 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 95.42 -6.64 68.36 Favored Glycine 0 CA--C 1.53 0.998 0 N-CA-C 111.489 -0.644 . . . . 0.0 111.489 179.79 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.469 ' CD1' ' N ' ' A' ' 99' ' ' TYR . 12.0 m-85 -123.5 161.24 25.28 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.05 0.452 . . . . 0.0 111.366 -178.663 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.463 HG22 ' OD1' ' A' ' 93' ' ' ASP . 0.2 OUTLIER -128.22 141.48 46.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 N-CA-C 107.584 -1.265 . . . . 0.0 107.584 177.889 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 70.8 m -60.08 135.65 57.78 Favored 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 119.807 -0.757 . . . . 0.0 110.034 -179.386 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.486 ' HB2' HG23 ' A' ' 136' ' ' VAL . . . -63.6 -36.79 84.97 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.081 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -60.13 -41.65 93.12 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 112.281 0.475 . . . . 0.0 112.281 -178.519 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.686 ' O ' HG23 ' A' ' 108' ' ' VAL . 4.7 pt-20 -68.21 -32.16 72.17 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.351 -0.54 . . . . 0.0 110.333 -179.34 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 2.7 tt -61.8 -47.86 83.23 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.634 -0.506 . . . . 0.0 109.634 179.356 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.529 ' NH1' HG21 ' A' ' 110' ' ' THR . 29.3 tpt85 -55.79 -50.59 70.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.212 -179.137 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . 0.616 ' CE1' ' ND2' ' A' ' 111' ' ' ASN . 82.7 t60 -63.28 -46.48 86.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.296 0.569 . . . . 0.0 110.882 179.08 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.686 HG23 ' O ' ' A' ' 104' ' ' GLU . 63.9 t -62.13 -41.75 92.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 115.178 -0.919 . . . . 0.0 111.884 -179.105 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.49 -28.29 62.8 Favored 'General case' 0 N--CA 1.465 0.322 0 N-CA-C 111.843 0.312 . . . . 0.0 111.843 -179.339 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.529 HG21 ' NH1' ' A' ' 106' ' ' ARG . 58.4 p -104.47 -16.25 15.13 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 120.679 -0.409 . . . . 0.0 111.97 -178.621 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . 0.616 ' ND2' ' CE1' ' A' ' 107' ' ' HIS . 57.6 t30 -108.75 -48.72 3.26 Favored 'General case' 0 N--CA 1.466 0.355 0 N-CA-C 112.642 0.608 . . . . 0.0 112.642 -178.736 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.541 HD13 HG22 ' B' ' 39' ' ' THR . 89.1 mt -92.98 139.29 30.68 Favored 'General case' 0 N--CA 1.465 0.325 0 N-CA-C 111.883 0.327 . . . . 0.0 111.883 -178.555 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . 0.566 ' O ' ' C ' ' A' ' 114' ' ' GLU . . . 57.23 125.34 0.01 OUTLIER Glycine 0 C--N 1.335 0.492 0 N-CA-C 111.352 -0.699 . . . . 0.0 111.352 178.653 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . 0.566 ' C ' ' O ' ' A' ' 113' ' ' GLY . 2.9 tt0 10.23 94.49 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.583 0 O-C-N 124.129 0.547 . . . . 0.0 110.836 179.729 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 62.6 mttp -53.77 136.83 39.33 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.695 -176.761 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.639 HD12 ' HB3' ' A' ' 120' ' ' GLU . 4.5 mm? -90.74 157.86 17.19 Favored 'General case' 0 CA--C 1.529 0.142 0 CA-C-N 115.657 -0.701 . . . . 0.0 109.125 178.75 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . 0.431 ' O ' HG23 ' A' ' 121' ' ' VAL . 72.7 p -92.28 169.45 10.58 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 120.785 -0.366 . . . . 0.0 110.112 179.396 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 68.3 t0 -57.69 -42.82 84.41 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.93 -0.308 . . . . 0.0 110.834 -179.255 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 -62.39 -41.55 98.73 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.781 -0.368 . . . . 0.0 110.566 -179.767 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . 0.639 ' HB3' HD12 ' A' ' 116' ' ' LEU . 51.5 mt-10 -69.82 -40.25 76.02 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.1 178.78 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.471 HG21 ' CG2' ' A' ' 110' ' ' THR . 55.3 t -64.06 -45.61 96.13 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.254 0 CA-C-O 120.99 0.424 . . . . 0.0 110.66 178.752 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . 0.525 ' OD1' ' NH1' ' A' ' 126' ' ' ARG . 68.5 t0 -55.9 -43.18 77.03 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 120.354 -0.538 . . . . 0.0 110.288 -178.873 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 53.7 tp10 -62.06 -38.27 88.13 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.191 -0.67 . . . . 0.0 109.191 178.64 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . 0.51 ' SD ' ' CE1' ' B' ' 50' ' ' PHE . 50.7 mmm -68.89 -39.06 79.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.931 179.492 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 1.2 mp -63.77 -37.42 79.65 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.222 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.019 -179.315 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . 0.525 ' NH1' ' OD1' ' A' ' 122' ' ' ASP . 82.1 mtt85 -66.0 -27.22 67.97 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.936 0.398 . . . . 0.0 110.576 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 -96.35 -6.14 38.33 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.2 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.621 ' HB1' HG21 ' A' ' 136' ' ' VAL . . . -84.99 -73.27 0.44 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.3 -179.073 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . 0.448 ' CB ' ' O ' ' A' ' 128' ' ' ALA . 1.5 m-20 161.89 -97.05 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.628 0 CA-C-O 120.824 0.345 . . . . 0.0 111.018 179.555 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . 0.711 HG22 ' N ' ' A' ' 131' ' ' ASP . 73.8 mt 60.43 -115.48 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.16 -178.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . 0.711 ' N ' HG22 ' A' ' 130' ' ' ILE . 7.9 t0 74.14 -25.03 0.2 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.622 -178.43 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . 0.536 ' H ' ' C ' ' A' ' 130' ' ' ILE . . . 171.57 -66.54 0.14 Allowed Glycine 0 CA--C 1.526 0.764 0 N-CA-C 111.482 -0.647 . . . . 0.0 111.482 179.716 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . 0.517 ' OD1' ' N ' ' A' ' 134' ' ' GLY . 56.8 p30 -50.44 -28.96 9.2 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 112.069 0.396 . . . . 0.0 112.069 -177.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . 0.517 ' N ' ' OD1' ' A' ' 133' ' ' ASP . . . 71.76 31.42 64.95 Favored Glycine 0 CA--C 1.532 1.1 0 C-N-CA 120.91 -0.662 . . . . 0.0 113.542 178.109 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -119.29 149.98 40.89 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 117.466 0.633 . . . . 0.0 109.645 178.291 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . 0.621 HG21 ' HB1' ' A' ' 128' ' ' ALA . 45.3 t -131.89 135.05 59.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 121.138 0.494 . . . . 0.0 111.945 -179.261 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -95.24 110.18 22.2 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.602 -0.727 . . . . 0.0 109.491 178.498 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 45.9 p90 -59.88 -11.27 5.14 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 120.606 -0.437 . . . . 0.0 111.598 -178.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -59.68 -50.04 75.4 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 119.705 -0.798 . . . . 0.0 109.956 -179.41 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -59.6 -41.69 90.9 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 120.913 -0.315 . . . . 0.0 110.636 -179.334 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . 0.536 ' O ' ' SD ' ' A' ' 145' ' ' MET . 3.6 m-85 -62.1 -41.52 98.29 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.323 -0.551 . . . . 0.0 109.884 178.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 53.3 t -63.35 -40.64 89.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 C-N-CA 120.333 -0.547 . . . . 0.0 110.129 178.884 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . 0.539 ' O ' ' HB2' ' A' ' 147' ' ' ALA . 86.5 mm-40 -60.79 -40.91 94.39 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 109.146 -0.687 . . . . 0.0 109.146 179.213 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 144' ' ' MET . . . . . 0.465 ' O ' ' CE1' ' B' ' 53' ' ' PHE . 71.7 mtp -60.62 -45.72 92.95 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.479 179.408 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . 0.536 ' SD ' ' O ' ' A' ' 141' ' ' PHE . 0.0 OUTLIER -73.86 -14.02 61.01 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.954 -0.567 . . . . 0.0 111.33 -179.857 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 73.5 p -120.29 16.47 12.27 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.742 0.306 . . . . 0.0 110.25 179.526 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . 0.539 ' HB2' ' O ' ' A' ' 143' ' ' GLN . . . -108.48 71.94 0.81 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.118 -0.492 . . . . 0.0 109.851 179.235 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 1.3 mmtp . . . . . 0 C--O 1.22 -0.448 0 CA-C-O 117.984 -1.008 . . . . 0.0 110.437 -179.636 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 30' ' ' PHE . . . . . 0.542 ' N ' ' CD1' ' B' ' 30' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.596 0 N-CA-C 109.165 -0.679 . . . . 0.0 109.165 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 65.7 t0 -88.15 72.65 9.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.835 -179.701 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 2.7 pt -135.95 162.49 36.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 N-CA-C 109.877 -0.416 . . . . 0.0 109.877 179.643 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -79.42 82.45 5.55 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 179.14 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 34' ' ' MET . . . . . 0.534 ' HE2' HD21 ' A' ' 112' ' ' LEU . 82.0 mtp -70.97 -17.28 62.67 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.821 -178.858 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 55.2 p30 -83.19 2.27 36.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.61 -179.201 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -101.73 148.31 35.09 Favored Pre-proline 0 CA--C 1.532 0.286 0 C-N-CA 120.764 -0.375 . . . . 0.0 110.442 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -68.7 -27.84 31.52 Favored 'Trans proline' 0 N--CA 1.492 1.423 0 C-N-CA 122.422 2.081 . . . . 0.0 112.599 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -63.16 -40.9 98.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.842 -179.756 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . 0.541 HG22 HD13 ' A' ' 112' ' ' LEU . 97.3 m -62.44 -49.43 75.46 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.16 -179.441 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -66.52 -42.97 86.47 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.27 0.557 . . . . 0.0 109.727 179.292 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 29.1 tpt180 -61.51 -44.47 97.02 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.223 -0.899 . . . . 0.0 110.514 179.709 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -60.83 -40.13 91.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.412 -179.831 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -61.36 -41.77 97.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.281 179.779 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 59.4 t -63.15 -43.89 99.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.317 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -60.62 -46.31 90.77 Favored 'General case' 0 N--CA 1.463 0.211 0 C-N-CA 120.705 -0.398 . . . . 0.0 111.175 -179.054 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 91.4 mt -64.49 -46.3 93.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-O 121.154 0.502 . . . . 0.0 110.101 179.267 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 47' ' ' GLN . . . . . 0.453 ' OE1' ' O ' ' A' ' 113' ' ' GLY . 81.7 mt-30 -64.52 -41.25 96.51 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.422 -0.808 . . . . 0.0 111.544 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 75.1 m -61.9 -43.8 98.11 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.784 -0.366 . . . . 0.0 110.333 -179.411 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 8.2 tp-100 -67.48 -38.23 84.06 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 179.349 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 50' ' ' PHE . . . . . 0.51 ' CE1' ' SD ' ' A' ' 124' ' ' MET . 40.6 t80 -59.05 -48.03 83.06 Favored 'General case' 0 C--N 1.333 -0.114 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.128 -179.724 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 44.1 ttm180 -59.56 -45.24 92.41 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 120.618 -0.433 . . . . 0.0 110.358 -179.871 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 64.8 tttm -62.02 -40.45 95.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.055 0.455 . . . . 0.0 109.923 179.356 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 53' ' ' PHE . . . . . 0.465 ' CE1' ' O ' ' A' ' 144' ' ' MET . 86.5 t80 -58.8 -44.04 90.66 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.611 -179.869 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 54' ' ' GLN . . . . . 0.474 ' NE2' ' CZ ' ' B' ' 50' ' ' PHE . 91.4 mt-30 -59.99 -40.28 88.62 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.82 -179.119 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 62.5 mttp -62.17 -39.85 94.05 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.799 -0.36 . . . . 0.0 110.674 179.802 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 35.9 mmtm -62.53 -39.41 93.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.488 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 39.9 ttmt -60.74 -43.14 98.3 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.126 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.21 -39.89 91.94 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.424 179.833 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 59' ' ' GLY . . . . . 0.427 ' O ' ' O ' ' B' ' 60' ' ' SER . . . 94.13 -58.8 2.04 Favored Glycine 0 CA--C 1.525 0.656 0 N-CA-C 111.109 -0.797 . . . . 0.0 111.109 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 60' ' ' SER . . . . . 0.427 ' O ' ' O ' ' B' ' 59' ' ' GLY . 17.3 p 51.36 175.04 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.771 0.319 . . . . 0.0 110.526 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 61' ' ' GLN . . . . . 0.47 ' CD ' ' N ' ' B' ' 61' ' ' GLN . 3.3 mp0 -82.5 145.69 29.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.468 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 53.2 m . . . . . 0 C--O 1.22 -0.466 0 CA-C-O 117.994 -1.003 . . . . 0.0 110.587 179.983 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 65.9 mtt . . . . . 0 N--CA 1.49 1.546 0 N-CA-C 109.449 -0.574 . . . . 0.0 109.449 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 63.0 mttp -62.23 -39.56 93.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.566 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.522 ' O ' ' N ' ' A' ' 80' ' ' ASP . 96.5 m-20 -95.09 -39.14 10.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.096 179.465 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.477 ' O ' ' C ' ' A' ' 80' ' ' ASP . 1.8 m 62.89 -69.91 0.06 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.594 -179.876 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.522 ' N ' ' O ' ' A' ' 78' ' ' ASP . 99.6 m-20 -19.35 113.62 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.475 0 O-C-N 124.052 0.845 . . . . 0.0 111.995 -178.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 66.1 m -80.88 -5.76 57.77 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.278 -0.874 . . . . 0.0 110.76 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 15.8 tm-20 -56.9 -38.84 73.38 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.249 -0.649 . . . . 0.0 109.249 179.744 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.413 ' OE2' ' OE2' ' A' ' 84' ' ' GLU . 1.2 pp20? -67.61 -35.26 78.61 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.728 179.283 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.413 ' OE2' ' OE2' ' A' ' 83' ' ' GLU . 79.8 mm-40 -63.92 -44.8 91.82 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-O 120.913 0.387 . . . . 0.0 110.795 -179.735 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 4.2 mm -68.13 -38.63 80.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 121.282 0.563 . . . . 0.0 109.741 178.826 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 80.1 ttt180 -60.35 -38.55 84.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.204 -0.907 . . . . 0.0 110.533 179.592 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -57.54 -38.58 74.97 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.788 -0.642 . . . . 0.0 109.967 -179.655 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -59.97 -34.45 73.31 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.526 179.428 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 74.4 m-85 -75.12 -39.86 60.25 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.359 -0.536 . . . . 0.0 110.344 178.239 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 1.2 mpt_? -44.5 -30.44 0.88 Allowed 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.484 -179.402 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.659 HG11 HG23 ' B' ' 39' ' ' THR . 52.5 t -60.98 -39.7 83.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.975 179.679 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 16.4 m-85 -87.53 -26.58 23.09 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 120.768 -0.373 . . . . 0.0 110.525 -179.698 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.446 ' OD1' ' O ' ' A' ' 99' ' ' TYR . 38.6 t70 -89.99 68.99 7.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.309 -0.405 . . . . 0.0 109.926 179.053 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 26.5 pttm -76.99 -20.11 56.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.014 0.435 . . . . 0.0 111.153 179.612 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . 0.526 ' OD2' ' ND2' ' A' ' 97' ' ' ASN . 51.4 t0 -73.72 -28.65 61.82 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.333 179.648 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 73.87 21.77 78.86 Favored Glycine 0 CA--C 1.528 0.878 0 N-CA-C 111.265 -0.734 . . . . 0.0 111.265 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . 0.526 ' ND2' ' OD2' ' A' ' 95' ' ' ASP . 98.6 m-20 -91.46 -4.25 55.77 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 120.833 -0.347 . . . . 0.0 111.313 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . 0.429 ' C ' ' CD1' ' A' ' 99' ' ' TYR . . . 93.36 11.59 58.22 Favored Glycine 0 CA--C 1.532 1.152 0 C-N-CA 120.805 -0.712 . . . . 0.0 111.479 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.446 ' O ' ' OD1' ' A' ' 93' ' ' ASP . 18.9 m-85 -136.9 157.59 46.39 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-O 121.159 0.504 . . . . 0.0 112.163 -179.722 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.442 HG21 HD13 ' A' ' 100' ' ' ILE . 0.3 OUTLIER -129.07 142.01 45.14 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 177.657 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 67.9 m -58.87 130.4 46.77 Favored 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 119.87 -0.732 . . . . 0.0 110.043 -179.372 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.607 ' HB2' HG23 ' A' ' 136' ' ' VAL . . . -63.26 -38.24 90.39 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.976 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -60.05 -40.26 88.82 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.656 0.613 . . . . 0.0 112.656 -178.152 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.511 ' O ' HG23 ' A' ' 108' ' ' VAL . 5.1 pt-20 -70.38 -28.6 65.22 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.59 -0.444 . . . . 0.0 110.674 -179.057 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 3.4 tt -60.53 -48.64 80.89 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.685 ' CZ ' HG11 ' A' ' 121' ' ' VAL . 7.9 tpp180 -55.16 -51.59 66.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.251 -0.431 . . . . 0.0 109.922 179.84 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 79.3 t60 -61.11 -47.59 85.59 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.111 0.481 . . . . 0.0 111.237 179.637 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.511 HG23 ' O ' ' A' ' 104' ' ' GLU . 53.8 t -61.38 -40.84 87.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 115.607 -0.724 . . . . 0.0 112.119 -179.082 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.62 -29.15 64.34 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.23 -0.441 . . . . 0.0 112.075 -179.171 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.514 ' CG2' HG21 ' A' ' 121' ' ' VAL . 41.5 p -102.96 -11.43 18.2 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 112.37 0.507 . . . . 0.0 112.37 -177.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 24.0 t-20 -111.02 -49.18 3.04 Favored 'General case' 0 N--CA 1.467 0.376 0 N-CA-C 112.237 0.458 . . . . 0.0 112.237 -178.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 92.5 mt -92.83 163.47 13.7 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-O 121.214 0.53 . . . . 0.0 112.143 -178.693 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 63.61 -116.5 9.33 Favored Glycine 0 CA--C 1.523 0.542 0 CA-C-N 115.307 -0.86 . . . . 0.0 111.713 179.016 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . 0.609 ' O ' HD22 ' A' ' 116' ' ' LEU . 78.8 mm-40 -113.23 93.14 4.27 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.433 -0.58 . . . . 0.0 109.433 179.122 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 62.5 mttp -35.06 116.95 0.37 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.119 -0.491 . . . . 0.0 112.036 -178.022 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.609 HD22 ' O ' ' A' ' 114' ' ' GLU . 3.8 mm? -88.9 155.98 19.19 Favored 'General case' 0 N--CA 1.462 0.161 0 N-CA-C 108.687 -0.857 . . . . 0.0 108.687 178.36 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 59.4 p -88.96 165.64 14.44 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.829 -0.434 . . . . 0.0 109.829 178.863 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . 0.415 ' HA ' HH12 ' A' ' 106' ' ' ARG . 98.3 m-20 -59.8 -39.89 86.5 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 120.583 -0.447 . . . . 0.0 110.143 -179.665 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -61.89 -41.23 97.65 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.092 179.853 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . 0.594 ' HB3' HD12 ' A' ' 116' ' ' LEU . 48.8 mt-10 -70.42 -43.67 69.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.98 178.736 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.685 HG11 ' CZ ' ' A' ' 106' ' ' ARG . 79.2 t -65.48 -44.44 94.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.621 179.841 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -54.59 -39.17 67.55 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 120.049 -0.66 . . . . 0.0 109.234 -178.83 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -62.86 -38.21 89.92 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.801 -0.636 . . . . 0.0 109.342 178.07 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 97.0 mtp -69.9 -39.32 76.3 Favored 'General case' 0 C--O 1.231 0.131 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.663 179.622 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . 0.628 HD13 HG12 ' A' ' 121' ' ' VAL . 1.2 mp -59.73 -37.79 72.84 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.137 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.571 -179.447 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -67.73 -26.66 66.25 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.527 179.648 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -96.11 -10.82 27.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.868 179.702 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.63 ' HB1' HG21 ' A' ' 136' ' ' VAL . . . -79.69 -70.98 0.47 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.406 -179.122 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . 0.446 ' CB ' ' O ' ' A' ' 128' ' ' ALA . 1.2 m-20 163.11 -93.67 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.559 0 CA-C-O 121.002 0.43 . . . . 0.0 111.377 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . 0.697 ' O ' HG22 ' A' ' 130' ' ' ILE . 76.7 mt 49.64 51.03 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.404 -178.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -60.93 -41.86 97.02 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 179.155 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -168.48 -51.25 0.03 OUTLIER Glycine 0 CA--C 1.524 0.627 0 CA-C-N 115.171 -0.922 . . . . 0.0 111.195 179.704 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -60.74 -39.23 87.91 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 111.788 0.292 . . . . 0.0 111.788 -178.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 98.49 40.44 3.43 Favored Glycine 0 CA--C 1.525 0.664 0 C-N-CA 120.335 -0.936 . . . . 0.0 111.227 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -123.21 148.93 45.3 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 109.788 -0.449 . . . . 0.0 109.788 179.113 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . 0.63 HG21 ' HB1' ' A' ' 128' ' ' ALA . 38.5 t -127.39 133.37 68.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.896 -179.096 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . 0.445 ' OD1' ' O ' ' A' ' 137' ' ' ASN . 43.3 p-10 -92.2 112.56 24.54 Favored 'General case' 0 N--CA 1.451 -0.407 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 178.489 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 38.9 p90 -62.63 -8.88 7.31 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 112.08 0.4 . . . . 0.0 112.08 -178.478 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 15.7 tm-20 -60.03 -50.97 71.64 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 119.882 -0.727 . . . . 0.0 110.784 -179.315 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -61.46 -40.33 94.12 Favored 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 120.732 -0.387 . . . . 0.0 110.857 -179.117 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -60.75 -46.8 89.03 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.519 -0.473 . . . . 0.0 109.87 178.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 53.6 t -63.12 -44.58 99.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 C-N-CA 120.703 -0.399 . . . . 0.0 110.468 179.384 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 10.7 tp-100 -61.53 -42.15 98.39 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 108.8 -0.815 . . . . 0.0 108.8 178.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 2.1 ttp -63.41 -48.73 76.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.394 -0.821 . . . . 0.0 109.537 178.041 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 10.5 tpp -61.16 -26.77 67.93 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.844 -179.558 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 77.2 p -112.84 22.82 14.08 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.608 -178.69 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -128.51 51.58 1.99 Allowed 'General case' 0 N--CA 1.463 0.19 0 CA-C-O 120.625 0.25 . . . . 0.0 110.613 179.46 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . 0.515 ' OXT' ' NZ ' ' B' ' 56' ' ' LYS . 9.3 mmtt . . . . . 0 C--O 1.221 -0.44 0 CA-C-O 118.002 -0.999 . . . . 0.0 110.314 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 30' ' ' PHE . . . . . 0.598 ' N ' ' CD1' ' B' ' 30' ' ' PHE . 0.1 OUTLIER . . . . . 0 N--CA 1.49 1.566 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 53.2 t0 54.89 50.08 16.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.946 179.7 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 8.9 pt -124.58 163.69 24.35 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.208 0 N-CA-C 109.621 -0.511 . . . . 0.0 109.621 179.6 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -79.06 75.4 5.58 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 179.067 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 34' ' ' MET . . . . . . . . . . . . . 85.0 mtp -64.92 -38.39 90.81 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.691 -179.039 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -61.81 -38.92 89.93 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.622 -179.051 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.32 122.98 74.06 Favored Pre-proline 0 CA--C 1.541 0.601 0 C-N-CA 120.623 -0.431 . . . . 0.0 110.49 -179.218 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_exo -51.44 -34.09 49.66 Favored 'Trans proline' 0 N--CA 1.5 1.878 0 C-N-CA 121.967 1.778 . . . . 0.0 112.881 179.328 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -54.8 -39.44 68.48 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.851 -0.34 . . . . 0.0 111.057 -178.718 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . 0.659 HG23 HG11 ' A' ' 91' ' ' VAL . 92.5 m -63.91 -44.09 94.0 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.529 -0.468 . . . . 0.0 110.136 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -62.97 -41.79 99.64 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.571 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 6.7 mmp_? -64.22 -39.51 94.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.241 179.82 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -61.31 -41.12 96.47 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.332 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -61.98 -39.6 92.71 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.536 179.746 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 53.2 t -61.22 -44.74 98.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.253 -179.659 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -60.64 -47.21 87.27 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.583 -0.447 . . . . 0.0 110.924 -179.338 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 92.9 mt -66.4 -47.2 84.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 C-N-CA 120.662 -0.415 . . . . 0.0 111.064 179.664 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 47' ' ' GLN . . . . . 0.522 ' NE2' ' O ' ' A' ' 114' ' ' GLU . 39.7 mt-30 -65.74 -41.46 92.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.234 -179.6 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 48.2 t -62.6 -46.16 89.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.2 -179.604 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 97.8 mm-40 -65.07 -38.14 89.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.948 -179.774 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 50' ' ' PHE . . . . . 0.617 ' CE2' ' NE2' ' B' ' 54' ' ' GLN . 63.5 t80 -58.55 -47.94 82.55 Favored 'General case' 0 C--N 1.332 -0.191 0 C-N-CA 120.93 -0.308 . . . . 0.0 110.83 -179.42 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 55.9 ttp180 -60.07 -42.99 95.73 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 120.736 -0.385 . . . . 0.0 110.196 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 64.9 tttm -61.91 -39.96 93.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.055 179.267 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 53' ' ' PHE . . . . . . . . . . . . . 40.2 t80 -58.71 -42.7 89.27 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.35 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 54' ' ' GLN . . . . . 0.617 ' NE2' ' CE2' ' B' ' 50' ' ' PHE . 57.0 mt-30 -61.08 -39.34 89.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.132 -179.337 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -61.04 -43.06 99.45 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 120.638 -0.425 . . . . 0.0 111.03 -179.265 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . 0.515 ' NZ ' ' OXT' ' A' ' 148' ' ' LYS . 59.1 mtpt -67.13 -39.06 86.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.019 0.438 . . . . 0.0 110.331 179.474 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -61.46 -40.42 94.43 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.972 179.643 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 58' ' ' ALA . . . . . 0.531 ' O ' ' NE2' ' B' ' 61' ' ' GLN . . . -61.09 -39.38 89.69 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.773 -0.648 . . . . 0.0 111.812 -179.288 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . -59.99 -40.68 97.29 Favored Glycine 0 CA--C 1.523 0.54 0 N-CA-C 111.049 -0.82 . . . . 0.0 111.049 -179.284 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 23.1 t -68.26 -12.54 61.19 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.851 0.358 . . . . 0.0 110.038 179.355 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 61' ' ' GLN . . . . . 0.531 ' NE2' ' O ' ' B' ' 58' ' ' ALA . 99.0 mm-40 59.19 41.7 19.85 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.278 -179.269 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 49.0 m . . . . . 0 C--O 1.22 -0.486 0 CA-C-O 118.006 -0.997 . . . . 0.0 110.589 179.888 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 26.5 ptt? . . . . . 0 N--CA 1.491 1.584 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 23.0 pttp -150.91 161.79 42.02 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.722 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.485 ' O ' ' CB ' ' A' ' 79' ' ' THR . 55.5 p30 -135.97 -153.93 0.53 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.601 -179.455 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.516 ' O ' ' N ' ' A' ' 81' ' ' SER . 0.2 OUTLIER 83.38 -11.45 0.92 Allowed 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.329 -179.705 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.465 ' C ' ' O ' ' A' ' 79' ' ' THR . 99.5 m-20 -27.12 88.58 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.334 0 O-C-N 123.999 0.812 . . . . 0.0 111.319 -179.282 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . 0.516 ' N ' ' O ' ' A' ' 79' ' ' THR . 85.8 p -82.04 -6.93 59.54 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.511 -0.768 . . . . 0.0 111.208 -179.851 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 24.5 pt-20 -55.95 -35.68 66.95 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 120.412 -0.515 . . . . 0.0 110.227 -179.675 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -65.94 -37.03 84.97 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.373 179.087 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -62.39 -44.69 95.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.09 179.658 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.647 HD12 ' CD ' ' B' ' 49' ' ' GLN . 39.7 mm -66.78 -43.28 89.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.667 179.368 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -60.45 -35.92 76.98 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.861 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 16.1 tm-20 -55.52 -40.07 71.32 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.425 -0.584 . . . . 0.0 109.425 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.22 -35.12 74.72 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.971 179.513 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 89.5 m-85 -79.97 -40.36 28.16 Favored 'General case' 0 C--N 1.333 -0.143 0 C-N-CA 120.557 -0.457 . . . . 0.0 110.227 178.574 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -49.95 -25.11 2.98 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.346 -179.219 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 54.8 t -62.02 -39.57 84.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.276 178.663 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 16.0 m-85 -87.41 -25.74 23.65 Favored 'General case' 0 CA--C 1.53 0.182 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.713 -179.759 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 68.1 t0 -93.87 108.18 19.99 Favored 'General case' 0 CA--C 1.529 0.15 0 N-CA-C 109.169 -0.678 . . . . 0.0 109.169 178.777 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 52.5 mttp -97.55 -51.43 4.14 Favored 'General case' 0 CA--C 1.517 -0.304 0 CA-C-O 121.274 0.559 . . . . 0.0 110.403 -179.329 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . 0.437 ' O ' ' OD1' ' A' ' 95' ' ' ASP . 52.1 t0 -65.35 -17.64 64.68 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.301 -0.863 . . . . 0.0 111.217 -178.089 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 66.25 40.67 94.86 Favored Glycine 0 CA--C 1.521 0.416 0 C-N-CA 120.282 -0.961 . . . . 0.0 111.037 179.268 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 47.9 p-10 -88.05 -5.44 58.49 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 178.773 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 92.62 6.12 64.29 Favored Glycine 0 CA--C 1.529 0.924 0 CA-C-N 115.297 -0.865 . . . . 0.0 111.526 179.749 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.469 ' CD1' ' N ' ' A' ' 99' ' ' TYR . 12.0 m-85 -136.51 159.03 43.03 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-O 120.96 0.409 . . . . 0.0 110.934 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -130.36 148.28 33.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 N-CA-C 107.594 -1.261 . . . . 0.0 107.594 177.793 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 39.2 t -58.77 132.4 53.78 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 119.625 -0.83 . . . . 0.0 109.834 -179.525 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.441 ' HB2' HG23 ' A' ' 136' ' ' VAL . . . -65.02 -36.68 85.16 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.487 -179.679 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -59.29 -40.06 84.93 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.271 0.471 . . . . 0.0 112.271 -177.798 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.684 ' O ' HG23 ' A' ' 108' ' ' VAL . 6.1 pt-20 -69.45 -28.19 65.89 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.202 -0.599 . . . . 0.0 110.424 -179.313 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 28.3 tp -61.3 -48.06 83.1 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.045 -0.724 . . . . 0.0 109.045 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.602 ' CD ' HG11 ' A' ' 121' ' ' VAL . 2.1 tpt85 -56.36 -50.66 70.91 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.712 -0.677 . . . . 0.0 109.637 -179.289 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . 0.511 ' O ' ' N ' ' A' ' 111' ' ' ASN . 76.0 t60 -62.72 -46.23 89.04 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.137 0.494 . . . . 0.0 111.2 179.04 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.684 HG23 ' O ' ' A' ' 104' ' ' GLU . 67.2 t -61.14 -39.61 83.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.378 -0.828 . . . . 0.0 112.304 -178.551 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.61 -17.73 53.19 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.911 -0.316 . . . . 0.0 111.323 -179.273 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.461 HG23 ' O ' ' A' ' 106' ' ' ARG . 54.5 p -108.67 -17.87 13.85 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.789 -0.365 . . . . 0.0 111.633 -178.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . 0.511 ' N ' ' O ' ' A' ' 107' ' ' HIS . 23.0 t-20 -112.61 -32.71 6.36 Favored 'General case' 0 N--CA 1.467 0.422 0 N-CA-C 112.509 0.559 . . . . 0.0 112.509 -179.065 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.462 ' O ' ' O ' ' A' ' 113' ' ' GLY . 88.0 mt -108.9 138.64 44.93 Favored 'General case' 0 N--CA 1.466 0.363 0 N-CA-C 112.025 0.38 . . . . 0.0 112.025 -178.448 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . 0.553 ' O ' ' C ' ' A' ' 114' ' ' GLU . . . 55.4 124.32 0.01 OUTLIER Glycine 0 CA--C 1.523 0.543 0 CA-C-N 115.596 -0.729 . . . . 0.0 111.662 178.902 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . 0.553 ' C ' ' O ' ' A' ' 113' ' ' GLY . 45.8 mt-10 14.04 87.32 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.563 0 O-C-N 123.794 0.349 . . . . 0.0 111.319 179.457 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 62.3 mttp -47.11 134.43 10.77 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.265 -177.709 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.616 HD12 ' HB3' ' A' ' 120' ' ' GLU . 4.2 mm? -90.46 156.07 18.46 Favored 'General case' 0 C--N 1.332 -0.171 0 N-CA-C 108.879 -0.785 . . . . 0.0 108.879 178.743 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 68.6 p -86.02 164.16 17.53 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 179.081 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . 0.42 ' OD1' ' OD2' ' A' ' 122' ' ' ASP . 68.0 t0 -57.5 -42.06 82.01 Favored 'General case' 0 C--N 1.325 -0.487 0 C-N-CA 120.597 -0.441 . . . . 0.0 109.829 -179.748 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 60.3 mp0 -62.26 -40.85 97.57 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.429 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . 0.616 ' HB3' HD12 ' A' ' 116' ' ' LEU . 51.8 mt-10 -70.26 -44.8 67.72 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.924 -0.31 . . . . 0.0 110.978 179.459 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.602 HG11 ' CD ' ' A' ' 106' ' ' ARG . 73.1 t -66.16 -42.88 92.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.674 -179.731 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . 0.42 ' OD2' ' OD1' ' A' ' 118' ' ' ASP . 98.4 m-20 -55.77 -39.39 71.17 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 119.915 -0.714 . . . . 0.0 109.668 -178.329 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 53.4 tp10 -62.79 -37.73 87.84 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.996 -0.547 . . . . 0.0 109.625 178.58 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 97.0 mtp -68.53 -38.98 81.33 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.195 179.662 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . 0.573 HD13 HG12 ' A' ' 121' ' ' VAL . 1.2 mp -58.77 -41.0 81.31 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.154 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.896 -179.444 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 83.4 mtp180 -66.43 -25.55 66.8 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.895 0.378 . . . . 0.0 110.554 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -96.22 -11.95 25.32 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.641 179.518 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.491 ' HB1' ' CG2' ' A' ' 136' ' ' VAL . . . -78.85 -74.28 0.29 Allowed 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.52 -179.162 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . 0.526 ' CG ' ' N ' ' A' ' 130' ' ' ILE . 18.3 t70 166.49 -104.17 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.873 0 O-C-N 123.652 0.595 . . . . 0.0 110.856 179.407 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . 0.526 ' N ' ' CG ' ' A' ' 129' ' ' ASP . 1.2 mp 59.91 -127.96 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 CA-C-N 115.454 -0.794 . . . . 0.0 111.665 -179.606 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . 0.477 ' N ' HG22 ' A' ' 130' ' ' ILE . 0.0 OUTLIER 82.19 -21.1 0.32 Allowed 'General case' 0 N--CA 1.462 0.164 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.007 -178.775 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 175.95 -71.31 0.08 OUTLIER Glycine 0 CA--C 1.525 0.662 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 179.73 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 45.0 t0 -47.45 -37.04 10.88 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 121.372 -0.131 . . . . 0.0 111.212 -178.053 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 78.31 28.68 55.31 Favored Glycine 0 CA--C 1.531 1.062 0 C-N-CA 120.797 -0.716 . . . . 0.0 113.653 177.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . 0.421 ' O ' ' OD2' ' A' ' 129' ' ' ASP . 6.9 pt20 -121.36 149.54 42.81 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 117.431 0.615 . . . . 0.0 109.634 178.223 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . 0.491 ' CG2' ' HB1' ' A' ' 128' ' ' ALA . 35.4 t -126.23 135.13 64.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 N-CA-C 112.262 0.467 . . . . 0.0 112.262 -178.5 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -92.09 107.75 19.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.773 -0.649 . . . . 0.0 109.401 178.427 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 43.1 p90 -63.69 -14.71 54.66 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.801 -0.36 . . . . 0.0 111.641 -178.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 53.3 tp10 -59.4 -50.33 74.38 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.13 -0.628 . . . . 0.0 110.056 -179.355 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -60.76 -42.02 96.62 Favored 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 120.87 -0.332 . . . . 0.0 110.611 -179.559 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -59.31 -49.17 78.85 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 178.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 71.4 t -62.27 -43.76 98.36 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 C-N-CA 120.571 -0.452 . . . . 0.0 110.187 179.661 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 10.8 tp-100 -61.58 -42.52 98.98 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 178.716 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 2.2 ttp -62.69 -47.08 85.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.512 -0.767 . . . . 0.0 109.823 178.421 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . 0.493 ' SD ' ' OE1' ' B' ' 49' ' ' GLN . 65.3 mtt -67.67 -25.39 65.67 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.116 179.822 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 71.0 p -107.87 21.51 17.3 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.106 -179.467 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -132.17 66.97 1.54 Allowed 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.588 -0.278 . . . . 0.0 110.6 179.557 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 8.2 mmtt . . . . . 0 C--O 1.22 -0.452 0 CA-C-O 117.972 -1.013 . . . . 0.0 110.383 179.826 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 30' ' ' PHE . . . . . 0.569 ' N ' ' CD1' ' B' ' 30' ' ' PHE . 0.1 OUTLIER . . . . . 0 N--CA 1.491 1.6 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 41.3 t0 54.54 50.49 15.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.779 179.804 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . 0.458 HD13 HG21 ' B' ' 32' ' ' ILE . 6.7 pt -121.11 164.23 17.96 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.185 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 179.829 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -78.15 75.31 4.68 Favored 'General case' 0 C--N 1.325 -0.492 0 C-N-CA 120.429 -0.509 . . . . 0.0 110.158 179.767 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 34' ' ' MET . . . . . . . . . . . . . 51.1 mtt -63.2 -38.28 90.53 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.729 179.744 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 35' ' ' ASP . . . . . 0.532 ' OD1' ' N ' ' B' ' 36' ' ' ALA . 52.3 p-10 -61.3 -29.52 69.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.844 -179.142 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . 0.532 ' N ' ' OD1' ' B' ' 35' ' ' ASP . . . -67.01 141.84 96.9 Favored Pre-proline 0 CA--C 1.534 0.337 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 179.479 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 47.2 Cg_endo -67.68 -26.62 39.13 Favored 'Trans proline' 0 N--CA 1.493 1.477 0 C-N-CA 122.058 1.838 . . . . 0.0 112.673 -179.496 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -63.83 -41.77 97.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.325 -179.484 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 93.0 m -63.39 -49.36 74.08 Favored 'General case' 0 C--N 1.332 -0.155 0 C-N-CA 120.618 -0.433 . . . . 0.0 110.974 -179.291 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -65.11 -43.41 92.08 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 121.315 0.579 . . . . 0.0 109.537 179.311 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 17.7 tpp180 -62.08 -42.3 99.07 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.234 -0.894 . . . . 0.0 110.273 179.156 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -60.52 -40.2 90.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.484 -179.837 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -61.39 -40.78 95.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.345 179.817 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 60.2 t -62.08 -45.93 97.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.539 -179.444 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -61.3 -44.01 97.92 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 120.799 -0.361 . . . . 0.0 111.009 -179.309 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 92.5 mt -63.74 -45.86 96.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.299 179.624 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 47' ' ' GLN . . . . . 0.537 ' NE2' ' O ' ' A' ' 113' ' ' GLY . 93.6 mt-30 -63.69 -38.59 91.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.372 179.252 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 74.7 m -60.15 -41.75 93.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.05 -179.807 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . 0.647 ' CD ' HD12 ' A' ' 85' ' ' ILE . 82.2 mt-30 -63.54 -40.6 97.43 Favored 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 120.608 -0.437 . . . . 0.0 110.496 179.319 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 56.2 t80 -60.19 -48.15 82.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.01 -179.055 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 51' ' ' ARG . . . . . 0.512 ' NH1' ' OE1' ' A' ' 114' ' ' GLU . 91.5 mtm180 -62.83 -41.54 99.37 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.626 -0.43 . . . . 0.0 110.646 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 56.3 mtmt -66.95 -39.33 87.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.161 179.672 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 53' ' ' PHE . . . . . . . . . . . . . 69.9 t80 -59.98 -49.63 76.92 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.895 -179.18 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 20.2 pt20 -72.0 -29.63 64.41 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.856 -0.338 . . . . 0.0 110.686 179.862 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 38.9 ttpt -61.51 -44.16 97.57 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.266 179.681 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 20.4 tptm -60.74 -43.56 97.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.181 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 8.4 tppt? -61.08 -43.08 99.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.065 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.74 -39.85 93.02 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.449 179.814 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 99.09 149.75 24.89 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 60' ' ' SER . . . . . . . . . . . . . 86.8 p -70.74 -18.87 62.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.773 0.321 . . . . 0.0 110.766 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 26.7 mp0 -62.92 -39.93 96.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.517 -179.769 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 1.5 p . . . . . 0 C--O 1.219 -0.502 0 CA-C-O 118.049 -0.977 . . . . 0.0 110.537 179.997 . . . . . . . . 0 0 . 1 stop_ save_