data_2rob_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 2rob _Structure_validation_residue.Date_analyzed 2016-10-08 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 ' 83' ' ' GLU . . . . . . . . . . . . . 33.0 tp10 . . . . . 0 C--O 1.231 0.091 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 50.6 tp10 -46.88 -44.87 19.98 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.694 -0.402 . . . . 0.0 110.269 -179.817 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 78.7 mt -63.34 -44.39 95.0 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 120.379 -0.528 . . . . 0.0 110.514 179.656 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -63.69 -40.57 97.14 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.63 -0.428 . . . . 0.0 110.313 179.348 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -61.82 -57.42 11.92 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 120.557 -0.457 . . . . 0.0 110.227 179.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -51.86 -44.31 63.61 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.517 -0.473 . . . . 0.0 109.823 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 40.7 t80 -56.94 -43.45 81.54 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 110.028 -0.36 . . . . 0.0 110.028 179.215 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 21.3 tptm -60.99 -32.8 72.36 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.649 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 95.7 t -69.86 -46.74 72.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 C-N-CA 120.62 -0.432 . . . . 0.0 110.725 179.542 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -64.98 -34.12 77.68 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.629 -0.428 . . . . 0.0 110.39 179.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.49 ' OD2' ' N ' ' A' ' 98' ' ' GLY . 30.1 t0 -71.62 59.73 0.32 Allowed 'General case' 0 C--N 1.323 -0.583 0 C-N-CA 120.625 -0.43 . . . . 0.0 110.674 -179.379 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 64.6 tttm -48.16 -45.93 33.96 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.48 -0.488 . . . . 0.0 110.023 -179.229 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . 0.436 ' OD2' ' OE2' ' A' ' 104' ' ' GLU . 5.4 m-20 -72.16 -8.89 57.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.938 0.399 . . . . 0.0 110.199 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . 0.473 ' N ' ' O ' ' A' ' 93' ' ' ASP . 37.7 tt0 52.08 32.37 10.26 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.005 -179.668 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . 0.435 ' OD1' ' O ' ' A' ' 99' ' ' TYR . 46.7 p-10 -89.37 8.67 29.47 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 120.817 -0.353 . . . . 0.0 111.194 -179.104 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . 0.49 ' N ' ' OD2' ' A' ' 93' ' ' ASP . . . 79.15 -6.65 56.01 Favored Glycine 0 CA--C 1.526 0.723 0 N-CA-C 111.468 -0.653 . . . . 0.0 111.468 179.435 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.435 ' O ' ' OD1' ' A' ' 97' ' ' ASN . 34.9 m-85 -130.27 134.61 47.35 Favored 'General case' 0 N--CA 1.467 0.408 0 N-CA-C 110.234 -0.284 . . . . 0.0 110.234 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 16.0 mt -84.16 128.2 39.09 Favored 'Isoleucine or valine' 0 C--O 1.236 0.373 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 179.027 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 5.3 p -94.01 156.86 16.38 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.554 -179.28 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -52.88 -42.61 65.46 Favored 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 120.381 -0.528 . . . . 0.0 110.047 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' SER . . . . . 0.513 ' HG ' HH21 ' A' ' 106' ' ' ARG . 50.5 m -59.77 -41.58 91.39 Favored 'General case' 0 C--N 1.331 -0.207 0 C-N-CA 120.772 -0.371 . . . . 0.0 110.669 179.516 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.436 ' OE2' ' OD2' ' A' ' 95' ' ' ASP . 87.8 mt-10 -64.07 -38.96 92.97 Favored 'General case' 0 N--CA 1.443 -0.808 0 C-N-CA 120.67 -0.412 . . . . 0.0 110.354 179.545 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 26.2 tp -63.97 -43.87 94.45 Favored 'General case' 0 CA--C 1.53 0.191 0 CA-C-O 121.042 0.449 . . . . 0.0 110.214 179.205 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . 0.513 HH21 ' HG ' ' A' ' 103' ' ' SER . 84.8 mtm180 -59.23 -49.94 75.92 Favored 'General case' 0 C--O 1.218 -0.581 0 C-N-CA 120.344 -0.542 . . . . 0.0 110.347 -179.691 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 11.8 t-80 -53.68 -40.45 65.96 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 120.696 -0.402 . . . . 0.0 110.065 179.429 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 77.7 t -63.49 -43.54 98.4 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 N-CA-C 109.89 -0.411 . . . . 0.0 109.89 179.144 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 14.5 mmt -57.33 -41.46 80.01 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.483 -0.487 . . . . 0.0 109.973 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 11.5 mm -65.29 -42.98 95.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 C-N-CA 120.648 -0.421 . . . . 0.0 109.875 179.218 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 15.1 t30 -59.52 -36.82 76.83 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.152 179.594 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 9.0 mp -77.01 -4.22 43.07 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.927 179.566 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 78.83 19.75 72.34 Favored Glycine 0 CA--C 1.526 0.738 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -117.68 138.54 51.92 Favored 'General case' 0 N--CA 1.466 0.348 0 N-CA-C 109.748 -0.464 . . . . 0.0 109.748 179.59 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -137.44 112.64 9.17 Favored 'General case' 0 N--CA 1.468 0.461 0 N-CA-C 110.192 -0.299 . . . . 0.0 110.192 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 48.5 mt -102.65 163.16 12.38 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 109.646 -0.501 . . . . 0.0 109.646 179.735 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 1.2 m -68.54 162.14 26.37 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.126 -0.63 . . . . 0.0 109.632 -179.755 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 91.0 m-20 -60.3 -38.62 84.2 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.376 -0.53 . . . . 0.0 110.23 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -65.6 -31.89 73.17 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.754 -0.378 . . . . 0.0 110.497 179.325 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . 0.546 ' OE1' ' N ' ' A' ' 120' ' ' GLU . 0.2 OUTLIER -70.51 -49.29 49.82 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.471 -0.492 . . . . 0.0 110.259 179.26 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 85.7 t -63.54 -47.29 92.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 C-N-CA 120.521 -0.472 . . . . 0.0 110.216 179.735 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 44.2 tp10 -56.54 -39.05 72.74 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.796 -0.362 . . . . 0.0 110.41 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 81.8 mt-30 -67.24 -37.95 84.39 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 120.703 -0.399 . . . . 0.0 110.737 179.015 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 39.2 ttm -63.12 -44.18 96.34 Favored 'General case' 0 N--CA 1.45 -0.461 0 C-N-CA 120.78 -0.368 . . . . 0.0 110.417 -179.651 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 48.1 mm -61.54 -48.72 87.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 C-N-CA 120.585 -0.446 . . . . 0.0 110.048 179.189 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 48.7 mtmt -64.52 -44.94 89.29 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.239 179.548 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 81.2 tt0 -66.49 -38.43 87.24 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.14 -179.767 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -75.87 -29.9 58.69 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.441 -179.069 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . 0.545 ' OD2' ' N ' ' A' ' 133' ' ' ASP . 33.1 t0 -75.81 115.21 15.28 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.186 0.517 . . . . 0.0 111.897 -178.834 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 53.7 tp -85.32 -27.27 26.03 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.379 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . 0.455 ' OD1' ' OD1' ' A' ' 129' ' ' ASP . 44.1 p30 -100.29 12.26 37.51 Favored 'General case' 0 N--CA 1.465 0.275 0 C-N-CA 121.156 -0.217 . . . . 0.0 111.378 -178.784 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 44.94 26.22 1.14 Allowed Glycine 0 CA--C 1.529 0.957 0 C-N-CA 120.361 -0.923 . . . . 0.0 111.345 179.674 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . 0.545 ' N ' ' OD2' ' A' ' 129' ' ' ASP . 19.0 p-10 -72.03 -16.65 62.05 Favored 'General case' 0 N--CA 1.462 0.155 0 C-N-CA 120.713 -0.395 . . . . 0.0 110.472 179.593 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 94.0 -10.59 71.83 Favored Glycine 0 C--O 1.229 -0.21 0 N-CA-C 110.382 -1.087 . . . . 0.0 110.382 179.643 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 22.7 mt-30 -117.69 138.88 51.7 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-O 120.676 0.274 . . . . 0.0 110.682 -178.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 75.3 t -81.86 116.2 25.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 N-CA-C 108.538 -0.912 . . . . 0.0 108.538 178.639 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 18.1 t-20 -93.02 165.43 12.86 Favored 'General case' 0 N--CA 1.469 0.504 0 N-CA-C 109.943 -0.391 . . . . 0.0 109.943 179.653 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 85.1 t80 -49.52 -48.75 47.93 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.532 -0.467 . . . . 0.0 111.017 -178.767 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . 0.436 ' CG ' ' N ' ' A' ' 140' ' ' GLU . 6.5 pt-20 -58.01 -41.48 83.17 Favored 'General case' 0 C--O 1.225 -0.223 0 CA-C-O 121.026 0.441 . . . . 0.0 110.972 -179.229 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . 0.436 ' N ' ' CG ' ' A' ' 139' ' ' GLU . 82.8 mt-10 -70.13 -39.23 75.54 Favored 'General case' 0 C--N 1.321 -0.636 0 C-N-CA 120.052 -0.659 . . . . 0.0 109.82 179.736 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 58.6 t80 -62.78 -55.79 23.37 Favored 'General case' 0 N--CA 1.452 -0.335 0 C-N-CA 120.184 -0.606 . . . . 0.0 110.354 -179.646 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . 0.4 ' CG1' ' N ' ' A' ' 143' ' ' LYS . 14.8 p -57.59 -43.32 83.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 -179.755 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 143' ' ' LYS . . . . . 0.4 ' N ' ' CG1' ' A' ' 142' ' ' VAL . 55.7 tttp -60.79 -49.51 77.18 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.889 -0.596 . . . . 0.0 109.794 179.109 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 56.8 ttp -62.24 -39.07 91.64 Favored 'General case' 0 CA--C 1.514 -0.406 0 CA-C-O 121.439 0.638 . . . . 0.0 109.333 178.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 39.4 ttm -64.88 -39.07 92.96 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 115.155 -0.929 . . . . 0.0 109.978 179.787 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 87.2 mtp -63.72 -37.23 86.59 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 110.026 -0.361 . . . . 0.0 110.026 179.443 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 98.2 m . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.475 -179.791 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 14.1 tm-20 . . . . . 0 N--CA 1.456 -0.13 0 N-CA-C 109.022 -0.733 . . . . 0.0 109.022 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -45.45 -44.99 12.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.493 -179.747 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 80.5 mt -61.88 -44.9 95.87 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 120.36 -0.536 . . . . 0.0 110.44 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -63.73 -42.31 97.92 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 120.387 -0.525 . . . . 0.0 110.452 179.402 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 14.0 tm-20 -64.96 -55.03 21.51 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 120.463 -0.495 . . . . 0.0 110.22 179.772 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -51.69 -44.75 63.23 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 120.45 -0.5 . . . . 0.0 109.685 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 44.7 t80 -56.15 -46.28 79.33 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.738 -0.385 . . . . 0.0 110.158 179.622 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -58.42 -32.91 69.1 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.522 -0.308 . . . . 0.0 110.792 179.224 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 91.6 t -69.15 -47.32 75.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 C-N-CA 120.589 -0.445 . . . . 0.0 110.868 179.226 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -65.14 -34.77 79.18 Favored 'General case' 0 CA--C 1.517 -0.308 0 C-N-CA 120.726 -0.39 . . . . 0.0 110.367 179.596 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.503 ' OD2' ' N ' ' A' ' 98' ' ' GLY . 43.1 t0 -73.03 61.94 0.6 Allowed 'General case' 0 C--N 1.323 -0.567 0 C-N-CA 120.688 -0.405 . . . . 0.0 110.476 -179.353 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -50.61 -46.45 58.05 Favored 'General case' 0 C--N 1.333 -0.145 0 C-N-CA 120.472 -0.491 . . . . 0.0 110.154 -179.275 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . 0.461 ' OD2' ' OE2' ' A' ' 104' ' ' GLU . 4.9 m-20 -70.12 -5.56 27.9 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.931 0.396 . . . . 0.0 110.194 -179.866 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 43.7 tp60 49.25 26.11 1.43 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.238 -179.522 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 39.2 p-10 -80.69 2.61 25.2 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 120.763 -0.375 . . . . 0.0 111.187 -179.247 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . 0.503 ' N ' ' OD2' ' A' ' 93' ' ' ASP . . . 84.88 -6.4 78.77 Favored Glycine 0 CA--C 1.527 0.807 0 N-CA-C 111.252 -0.739 . . . . 0.0 111.252 179.628 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 68.7 m-85 -132.05 136.71 47.41 Favored 'General case' 0 N--CA 1.468 0.436 0 N-CA-C 110.235 -0.283 . . . . 0.0 110.235 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 20.9 mt -82.68 123.67 38.66 Favored 'Isoleucine or valine' 0 C--O 1.235 0.317 0 N-CA-C 108.844 -0.798 . . . . 0.0 108.844 179.175 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 9.2 p -89.02 155.08 19.7 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.715 -179.229 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -53.89 -42.88 69.17 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.374 -0.531 . . . . 0.0 109.958 179.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 49.7 m -59.2 -41.88 89.61 Favored 'General case' 0 C--O 1.234 0.283 0 C-N-CA 120.754 -0.378 . . . . 0.0 110.533 179.677 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.461 ' OE2' ' OD2' ' A' ' 95' ' ' ASP . 91.7 mt-10 -64.7 -37.83 88.91 Favored 'General case' 0 N--CA 1.443 -0.783 0 C-N-CA 120.667 -0.413 . . . . 0.0 110.436 179.274 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 32.6 tp -62.41 -42.3 99.33 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-O 120.804 0.335 . . . . 0.0 110.155 179.248 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 96.3 mtt-85 -61.4 -46.05 91.79 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.512 -0.475 . . . . 0.0 109.907 -179.619 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 11.8 t-160 -57.95 -42.84 85.78 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 120.499 -0.48 . . . . 0.0 109.758 179.386 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 79.4 t -62.36 -46.62 96.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 C-N-CA 120.67 -0.412 . . . . 0.0 110.041 179.332 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 43.6 mtt -58.56 -41.77 86.39 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.586 -0.446 . . . . 0.0 110.028 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 97.2 mt -64.78 -43.42 96.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 C-N-CA 120.575 -0.45 . . . . 0.0 109.922 178.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 24.6 t-20 -60.83 -35.54 76.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.172 179.703 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 8.6 mp -76.32 -3.29 35.95 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.087 179.517 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 80.43 15.94 77.13 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -112.93 132.02 55.5 Favored 'General case' 0 N--CA 1.467 0.385 0 N-CA-C 109.57 -0.53 . . . . 0.0 109.57 179.661 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 15.9 pttp -130.46 107.49 9.27 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-O 120.871 0.367 . . . . 0.0 110.457 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . 0.605 ' N ' ' CD2' ' A' ' 116' ' ' LEU . 0.8 OUTLIER -101.32 157.44 16.79 Favored 'General case' 0 CA--C 1.516 -0.349 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 11.6 m -65.02 160.34 21.12 Favored 'General case' 0 N--CA 1.453 -0.301 0 N-CA-C 109.408 -0.589 . . . . 0.0 109.408 -179.693 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 93.4 m-20 -61.09 -38.99 88.24 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.535 -0.466 . . . . 0.0 110.323 -179.588 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -61.45 -32.46 72.45 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.705 -0.398 . . . . 0.0 110.461 179.773 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -72.54 -48.86 36.87 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 120.544 -0.463 . . . . 0.0 110.463 179.087 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 91.9 t -62.17 -47.24 94.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 C-N-CA 120.578 -0.449 . . . . 0.0 109.914 179.677 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 69.2 mm-40 -58.39 -38.45 77.35 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.715 -0.394 . . . . 0.0 110.494 179.578 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 19.8 mt-30 -69.48 -39.4 77.69 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 120.667 -0.413 . . . . 0.0 110.679 178.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 58.2 ttm -61.41 -44.44 97.13 Favored 'General case' 0 N--CA 1.449 -0.511 0 C-N-CA 120.735 -0.386 . . . . 0.0 110.413 -179.691 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 43.4 mm -62.78 -47.35 93.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 N-CA-C 109.689 -0.485 . . . . 0.0 109.689 179.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 53.2 mtmt -65.15 -44.0 89.99 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.923 179.077 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 38.9 tp10 -67.17 -37.15 83.26 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.64 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -76.26 -28.94 57.27 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.203 -179.53 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 87.2 m-20 -77.21 116.3 17.72 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.289 0.566 . . . . 0.0 111.417 -179.221 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 5.9 tt -82.17 -26.31 33.52 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.408 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 40.3 p30 -108.17 15.3 24.3 Favored 'General case' 0 N--CA 1.467 0.394 0 N-CA-C 111.629 0.233 . . . . 0.0 111.629 -179.193 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 39.75 52.44 3.15 Favored Glycine 0 CA--C 1.529 0.919 0 C-N-CA 120.672 -0.775 . . . . 0.0 111.347 179.77 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . 0.544 ' OD1' ' N ' ' A' ' 134' ' ' GLY . 43.7 p-10 -96.41 -17.77 20.37 Favored 'General case' 0 N--CA 1.467 0.38 0 O-C-N 122.563 -0.375 . . . . 0.0 110.242 -179.891 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . 0.544 ' N ' ' OD1' ' A' ' 133' ' ' ASP . . . 97.66 -12.14 64.57 Favored Glycine 0 C--N 1.33 0.224 0 N-CA-C 110.382 -1.087 . . . . 0.0 110.382 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . 0.494 ' N ' ' OD1' ' A' ' 133' ' ' ASP . 5.2 mt-30 -115.91 131.16 57.02 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-O 120.735 0.302 . . . . 0.0 110.522 -178.674 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 36.6 t -81.69 119.21 30.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 N-CA-C 108.522 -0.918 . . . . 0.0 108.522 178.254 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 54.4 t30 -94.65 168.74 10.65 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-O 120.75 0.31 . . . . 0.0 110.169 179.368 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 74.3 t80 -50.67 -46.87 58.79 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.717 -0.393 . . . . 0.0 110.996 -178.638 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 42.9 tp10 -58.81 -46.0 88.65 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.753 -0.379 . . . . 0.0 111.024 -179.474 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 66.6 mt-10 -66.13 -39.28 89.74 Favored 'General case' 0 N--CA 1.451 -0.417 0 C-N-CA 120.166 -0.614 . . . . 0.0 110.272 179.737 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . 0.435 ' O ' ' N ' ' A' ' 145' ' ' MET . 53.2 t80 -63.15 -49.8 72.89 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 178.892 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 39.8 t -59.36 -46.88 92.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 N-CA-C 108.987 -0.745 . . . . 0.0 108.987 179.531 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -61.91 -49.19 77.18 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.737 179.61 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 14.2 tmm? -62.17 -39.72 93.58 Favored 'General case' 0 CA--C 1.512 -0.491 0 CA-C-O 121.544 0.687 . . . . 0.0 109.478 178.66 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 145' ' ' MET . . . . . 0.435 ' N ' ' O ' ' A' ' 141' ' ' PHE . 31.0 ttm -62.19 -38.76 90.32 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 115.124 -0.944 . . . . 0.0 109.871 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 56.6 mtm -64.53 -39.96 94.73 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 120.755 -0.378 . . . . 0.0 110.12 179.184 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 25.8 m . . . . . 0 C--N 1.328 -0.362 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.299 -179.86 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 82.3 tt0 . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 108.978 -0.749 . . . . 0.0 108.978 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -46.45 -44.02 17.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.217 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 51.2 tp -62.92 -44.72 95.31 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.291 -0.563 . . . . 0.0 110.199 179.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 89.2 tttt -60.9 -37.65 82.97 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.721 -0.392 . . . . 0.0 110.109 -179.48 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -66.99 -51.84 50.05 Favored 'General case' 0 N--CA 1.451 -0.419 0 C-N-CA 120.704 -0.398 . . . . 0.0 110.238 179.397 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -52.88 -46.28 67.85 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 120.475 -0.49 . . . . 0.0 109.899 -179.491 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 69.8 t80 -56.32 -44.81 80.31 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 109.921 -0.4 . . . . 0.0 109.921 179.662 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 16.5 mmmt -60.14 -34.28 73.32 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.819 179.512 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 84.7 t -68.91 -42.68 82.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.769 179.312 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -61.6 -35.43 77.84 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.58 -179.667 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.59 ' OD2' ' N ' ' A' ' 98' ' ' GLY . 6.9 t0 -72.08 72.29 0.87 Allowed 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.136 0.493 . . . . 0.0 110.848 -178.896 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 25.2 mtpp -50.95 -48.52 60.96 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 120.125 -0.63 . . . . 0.0 110.407 -179.354 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . 0.509 ' OD1' ' N ' ' A' ' 97' ' ' ASN . 7.7 p30 -79.37 -0.5 32.99 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.819 0.342 . . . . 0.0 110.512 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . 0.402 ' CD ' ' O ' ' A' ' 96' ' ' GLN . 0.4 OUTLIER 50.44 37.64 16.18 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.556 179.9 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . 0.509 ' N ' ' OD1' ' A' ' 95' ' ' ASP . 52.0 p-10 -85.06 -2.66 58.24 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.772 -0.371 . . . . 0.0 111.28 -179.208 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . 0.59 ' N ' ' OD2' ' A' ' 93' ' ' ASP . . . 90.53 -4.53 82.31 Favored Glycine 0 CA--C 1.53 1.028 0 N-CA-C 111.583 -0.607 . . . . 0.0 111.583 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 32.0 m-85 -128.67 172.26 11.4 Favored 'General case' 0 N--CA 1.467 0.419 0 N-CA-C 109.452 -0.574 . . . . 0.0 109.452 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 21.3 mt -120.43 130.37 74.51 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.48 0 N-CA-C 108.794 -0.817 . . . . 0.0 108.794 178.739 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 39.7 t -107.11 154.88 20.5 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.58 -179.586 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -52.22 -39.5 60.34 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 -179.688 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 38.9 t -60.88 -43.08 98.93 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-O 121.056 0.455 . . . . 0.0 110.137 179.627 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 92.8 mt-10 -71.23 -41.72 69.82 Favored 'General case' 0 N--CA 1.442 -0.85 0 C-N-CA 120.507 -0.477 . . . . 0.0 110.625 179.379 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 46.4 tp -65.7 -45.32 83.2 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-O 120.77 0.319 . . . . 0.0 111.47 179.631 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . 0.489 ' CG ' ' N ' ' A' ' 107' ' ' HIS . 11.5 ptm180 -64.87 -46.88 79.96 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.224 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . 0.489 ' N ' ' CG ' ' A' ' 106' ' ' ARG . 13.4 t-80 -57.58 -43.25 84.46 Favored 'General case' 0 CA--C 1.517 -0.294 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 -179.565 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 72.5 t -65.55 -43.11 94.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.979 178.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 3.3 mmt -60.62 -39.88 89.83 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.688 -0.405 . . . . 0.0 110.211 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 98.1 mt -65.29 -44.11 94.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 N-CA-C 109.888 -0.412 . . . . 0.0 109.888 179.101 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 13.9 t30 -60.34 -26.53 66.65 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.084 -0.507 . . . . 0.0 109.937 179.724 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 8.0 mp -87.42 0.82 54.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.105 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 84.92 9.98 79.69 Favored Glycine 0 CA--C 1.524 0.597 0 N-CA-C 110.905 -0.878 . . . . 0.0 110.905 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -111.47 123.68 50.71 Favored 'General case' 0 N--CA 1.465 0.305 0 N-CA-C 109.856 -0.424 . . . . 0.0 109.856 179.62 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 16.3 ptmt -136.44 112.3 9.54 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 121.058 0.456 . . . . 0.0 110.37 -179.496 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 25.2 mt -101.04 157.57 16.66 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.449 -0.575 . . . . 0.0 109.449 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' THR . . . . . 0.446 ' N ' ' OE1' ' A' ' 120' ' ' GLU . 11.6 m -64.15 162.8 13.74 Favored 'General case' 0 N--CA 1.453 -0.304 0 N-CA-C 109.117 -0.698 . . . . 0.0 109.117 -179.593 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -61.33 -39.31 90.07 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 120.701 -0.4 . . . . 0.0 110.153 -179.407 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -65.29 -31.56 72.76 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 120.764 -0.374 . . . . 0.0 110.487 179.671 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . 0.446 ' OE1' ' N ' ' A' ' 117' ' ' THR . 69.7 mt-10 -70.04 -47.2 62.99 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.644 -0.422 . . . . 0.0 110.305 178.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 69.0 t -64.32 -45.73 95.22 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 C-N-CA 120.665 -0.414 . . . . 0.0 109.994 179.557 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 34.7 tp10 -57.42 -37.7 73.2 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 22.8 mt-30 -71.26 -40.71 70.79 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.662 179.039 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 34.1 ttm -62.3 -46.46 88.66 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-O 120.776 0.322 . . . . 0.0 110.443 -179.699 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 7.5 mm -62.89 -48.16 89.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 179.743 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 29.2 mmtp -64.62 -43.32 94.13 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.969 179.656 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 80.8 tt0 -69.56 -37.07 76.87 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.74 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -78.11 -29.9 49.19 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.594 -179.343 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . 0.529 ' OD2' ' N ' ' A' ' 133' ' ' ASP . 67.1 t0 -77.42 119.93 21.71 Favored 'General case' 0 CA--C 1.51 -0.568 0 CA-C-O 121.255 0.55 . . . . 0.0 111.593 -179.423 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 7.1 tp -84.96 -21.07 29.71 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.42 -0.809 . . . . 0.0 111.309 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . 0.403 ' OD1' ' C ' ' A' ' 131' ' ' ASP . 19.6 p30 -110.62 12.19 22.72 Favored 'General case' 0 N--CA 1.47 0.565 0 N-CA-C 111.568 0.21 . . . . 0.0 111.568 -179.009 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 41.19 30.31 0.43 Allowed Glycine 0 CA--C 1.528 0.872 0 N-CA-C 111.191 -0.763 . . . . 0.0 111.191 179.73 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . 0.529 ' N ' ' OD2' ' A' ' 129' ' ' ASP . 43.0 p-10 -72.01 -18.67 61.95 Favored 'General case' 0 C--O 1.231 0.125 0 C-N-CA 120.792 -0.363 . . . . 0.0 110.413 -179.792 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 98.12 -7.66 62.5 Favored Glycine 0 C--N 1.332 0.332 0 N-CA-C 110.373 -1.091 . . . . 0.0 110.373 179.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -120.97 135.12 55.28 Favored 'General case' 0 N--CA 1.454 -0.269 0 N-CA-C 110.171 -0.307 . . . . 0.0 110.171 -178.37 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 99.2 t -84.27 118.51 31.66 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 N-CA-C 108.613 -0.884 . . . . 0.0 108.613 178.264 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 49.4 p-10 -93.86 170.94 9.18 Favored 'General case' 0 N--CA 1.467 0.384 0 N-CA-C 109.862 -0.422 . . . . 0.0 109.862 179.389 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 60.7 t80 -54.26 -45.1 72.33 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.951 -0.3 . . . . 0.0 111.16 -178.529 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 41.0 tp10 -58.39 -45.06 89.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.836 0.351 . . . . 0.0 110.654 -179.415 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -72.39 -35.85 68.52 Favored 'General case' 0 N--CA 1.446 -0.641 0 C-N-CA 119.841 -0.743 . . . . 0.0 109.537 179.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 64.5 t80 -62.83 -55.0 30.27 Favored 'General case' 0 C--O 1.232 0.16 0 C-N-CA 120.494 -0.482 . . . . 0.0 110.371 179.73 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . 0.417 ' CG1' ' N ' ' A' ' 143' ' ' LYS . 11.6 p -59.37 -43.24 89.78 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.139 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 143' ' ' LYS . . . . . 0.417 ' N ' ' CG1' ' A' ' 142' ' ' VAL . 3.6 ttmp? -61.09 -49.85 75.64 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.857 -0.61 . . . . 0.0 109.96 179.393 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 56.8 ttp -60.62 -39.41 88.1 Favored 'General case' 0 CA--C 1.512 -0.512 0 CA-C-N 115.639 -0.709 . . . . 0.0 109.293 179.42 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 47.5 ttm -66.12 -39.99 90.36 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 114.831 -1.077 . . . . 0.0 110.118 179.158 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 11.6 mmt -61.29 -37.49 83.36 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 26.5 m . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.544 179.974 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 . . . . . 0 N--CA 1.455 -0.189 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 76.1 mm-40 -43.36 -38.11 2.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.68 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 37.8 mt -61.81 -43.85 98.03 Favored 'General case' 0 C--O 1.231 0.128 0 C-N-CA 120.424 -0.51 . . . . 0.0 110.232 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 48.0 mttp -61.8 -41.4 97.71 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.424 -0.51 . . . . 0.0 110.15 179.228 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 13.8 tm-20 -64.75 -53.87 40.25 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 120.491 -0.483 . . . . 0.0 110.139 179.721 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -55.09 -49.35 71.9 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.911 0.386 . . . . 0.0 109.968 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 33.3 t80 -58.0 -41.87 83.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.042 179.711 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.541 ' HZ3' ' NE2' ' A' ' 96' ' ' GLN . 63.1 tttp -60.62 -33.68 73.12 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.675 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 70.2 t -68.01 -47.11 80.25 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.24 0 C-N-CA 120.746 -0.381 . . . . 0.0 110.77 179.262 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -68.51 -34.67 76.29 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.39 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 35.8 t0 -71.78 60.41 0.36 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.5 -179.42 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 17.1 tptp -51.39 -46.47 62.86 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.527 -0.469 . . . . 0.0 110.048 -179.003 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . 0.443 ' OD2' ' OE2' ' A' ' 104' ' ' GLU . 5.5 m-20 -70.48 -7.78 46.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.891 0.377 . . . . 0.0 110.031 -179.605 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . 0.541 ' NE2' ' HZ3' ' A' ' 90' ' ' LYS . 3.8 tp-100 49.93 32.75 5.84 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.102 -179.823 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 49.4 p-10 -90.55 4.73 50.36 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 116.506 -0.315 . . . . 0.0 111.321 -179.191 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 82.77 -7.53 65.54 Favored Glycine 0 CA--C 1.528 0.855 0 N-CA-C 111.484 -0.646 . . . . 0.0 111.484 179.426 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 63.3 m-85 -128.94 134.04 48.07 Favored 'General case' 0 N--CA 1.468 0.454 0 N-CA-C 110.425 -0.213 . . . . 0.0 110.425 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 31.1 mt -84.33 129.85 36.94 Favored 'Isoleucine or valine' 0 C--O 1.237 0.43 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 178.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 4.0 m -97.92 157.07 16.31 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.56 -179.499 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -52.11 -41.54 62.54 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.692 -0.485 . . . . 0.0 109.692 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 78.0 p -59.04 -41.77 88.66 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.695 -0.402 . . . . 0.0 110.271 179.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.443 ' OE2' ' OD2' ' A' ' 95' ' ' ASP . 87.9 mt-10 -68.5 -39.53 81.25 Favored 'General case' 0 N--CA 1.444 -0.729 0 C-N-CA 120.832 -0.347 . . . . 0.0 111.001 179.338 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.37 -42.56 98.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.028 0.442 . . . . 0.0 109.963 -179.448 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . 0.405 ' HG2' ' N ' ' A' ' 107' ' ' HIS . 9.3 ptt-85 -64.06 -44.64 91.81 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 120.387 -0.525 . . . . 0.0 109.694 179.357 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . 0.405 ' N ' ' HG2' ' A' ' 106' ' ' ARG . 29.6 t-80 -52.42 -40.9 62.73 Favored 'General case' 0 CA--C 1.514 -0.43 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 -178.865 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 85.0 t -66.14 -40.75 87.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.154 178.581 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 17.0 mmt -59.89 -45.33 92.88 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 120.574 -0.45 . . . . 0.0 110.633 -178.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . 0.419 ' N ' ' CD1' ' A' ' 110' ' ' ILE . 1.4 mp -65.97 -43.02 92.87 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.318 0 N-CA-C 109.886 -0.413 . . . . 0.0 109.886 178.597 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . 0.433 ' OD1' ' O ' ' A' ' 111' ' ' ASN . 53.9 t-20 -61.62 -37.53 84.28 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.431 -179.532 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -78.07 -2.75 38.83 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.122 179.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 85.19 17.29 63.03 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 179.629 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -112.61 128.71 56.45 Favored 'General case' 0 N--CA 1.464 0.269 0 N-CA-C 109.916 -0.402 . . . . 0.0 109.916 179.389 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 32.0 mtpt -132.15 109.8 10.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.907 0.384 . . . . 0.0 110.413 -179.617 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 72.8 mt -118.58 165.4 13.99 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.703 179.553 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -73.73 164.83 26.13 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.618 -0.512 . . . . 0.0 109.618 179.595 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 55.2 t0 -62.41 -37.36 85.51 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.597 -0.441 . . . . 0.0 110.614 -179.585 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -56.26 -39.48 72.68 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.887 -0.325 . . . . 0.0 110.671 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 62.0 mm-40 -71.82 -48.98 42.54 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.64 -0.424 . . . . 0.0 110.244 178.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 76.5 t -64.2 -46.39 93.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 C-N-CA 120.647 -0.421 . . . . 0.0 110.051 179.759 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 43.4 tp10 -60.08 -37.59 80.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.072 -0.513 . . . . 0.0 109.956 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 60.0 tt0 -62.01 -45.56 93.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.217 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 74.8 mtm -65.21 -39.55 92.93 Favored 'General case' 0 N--CA 1.446 -0.659 0 C-N-CA 120.964 -0.294 . . . . 0.0 110.269 179.714 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 5.6 mm -62.9 -45.62 98.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -67.41 -41.98 83.99 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.434 -0.803 . . . . 0.0 111.109 178.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 12.6 tm-20 -70.05 -38.87 75.93 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.043 -179.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -70.39 -29.36 65.98 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.505 -0.77 . . . . 0.0 111.283 -178.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . 0.527 ' OD2' ' N ' ' A' ' 133' ' ' ASP . 23.2 t0 -78.64 116.49 19.04 Favored 'General case' 0 CA--C 1.51 -0.589 0 CA-C-O 121.429 0.633 . . . . 0.0 111.605 -178.852 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 6.1 tp -86.17 -24.59 26.09 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 114.975 -1.011 . . . . 0.0 111.586 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . 0.427 ' OD1' ' OD1' ' A' ' 129' ' ' ASP . 42.8 p30 -103.84 11.21 35.97 Favored 'General case' 0 N--CA 1.47 0.529 0 N-CA-C 111.601 0.223 . . . . 0.0 111.601 -179.116 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . 0.408 ' CA ' ' OD2' ' A' ' 129' ' ' ASP . . . 44.03 30.25 1.72 Allowed Glycine 0 CA--C 1.528 0.895 0 C-N-CA 120.803 -0.713 . . . . 0.0 111.332 179.429 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . 0.527 ' N ' ' OD2' ' A' ' 129' ' ' ASP . 15.2 p-10 -74.33 -17.58 60.82 Favored 'General case' 0 C--N 1.333 -0.119 0 CA-C-O 120.946 0.403 . . . . 0.0 110.748 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 97.16 -7.79 64.54 Favored Glycine 0 C--N 1.332 0.319 0 N-CA-C 110.213 -1.155 . . . . 0.0 110.213 179.692 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -122.86 139.31 54.16 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-O 120.843 0.354 . . . . 0.0 110.302 -178.383 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 88.6 t -81.85 121.36 35.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 N-CA-C 108.471 -0.937 . . . . 0.0 108.471 178.802 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 64.3 t30 -93.89 164.45 13.1 Favored 'General case' 0 N--CA 1.465 0.308 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 179.301 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 73.6 t80 -46.09 -51.27 14.15 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.486 -0.325 . . . . 0.0 111.061 -178.793 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 -59.78 -42.04 92.45 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.879 -0.328 . . . . 0.0 110.743 -179.689 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 75.3 mt-10 -66.14 -42.18 89.42 Favored 'General case' 0 N--CA 1.45 -0.458 0 C-N-CA 120.395 -0.522 . . . . 0.0 110.09 179.705 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 55.5 t80 -61.88 -50.13 73.45 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 178.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 55.5 t -59.37 -46.21 92.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.813 -0.631 . . . . 0.0 109.347 179.783 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 65.3 tttm -60.82 -48.4 81.97 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.755 -0.657 . . . . 0.0 109.815 179.696 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 47.9 ttp -62.86 -40.6 97.96 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.616 -0.72 . . . . 0.0 109.505 178.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 36.6 ttm -62.12 -39.19 91.7 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 114.607 -1.178 . . . . 0.0 109.798 179.635 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 57.1 mmm -64.79 -38.03 89.6 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.192 179.668 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 14.6 m . . . . . 0 C--N 1.33 -0.246 0 CA-C-O 120.967 0.413 . . . . 0.0 110.983 -179.84 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.528 ' N ' ' OE1' ' A' ' 83' ' ' GLU . 54.5 mp0 . . . . . 0 N--CA 1.455 -0.179 0 N-CA-C 109.241 -0.651 . . . . 0.0 109.241 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 75.8 mt-10 -46.18 -47.76 17.65 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 120.62 -0.432 . . . . 0.0 110.349 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.91 -45.31 94.29 Favored 'General case' 0 N--CA 1.452 -0.342 0 C-N-CA 120.09 -0.644 . . . . 0.0 110.369 -179.71 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 64.0 tttm -62.26 -41.01 98.07 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.46 -0.496 . . . . 0.0 110.313 179.765 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -67.39 -53.16 31.67 Favored 'General case' 0 N--CA 1.452 -0.367 0 C-N-CA 120.623 -0.431 . . . . 0.0 110.466 179.569 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -52.47 -45.63 66.19 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.411 -0.516 . . . . 0.0 110.208 -179.654 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 36.5 t80 -57.02 -44.57 83.0 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.024 179.429 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 64.9 mmtt -60.3 -32.61 71.38 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.745 -0.382 . . . . 0.0 110.896 179.357 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 98.9 t -70.18 -48.23 62.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 C-N-CA 120.528 -0.469 . . . . 0.0 110.74 179.439 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -63.47 -33.84 76.46 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.556 -0.458 . . . . 0.0 110.249 179.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.532 ' OD2' ' N ' ' A' ' 98' ' ' GLY . 21.3 t0 -70.22 66.22 0.28 Allowed 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 120.561 -0.456 . . . . 0.0 110.629 -179.446 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -48.84 -47.76 42.33 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.347 -0.541 . . . . 0.0 110.186 -179.229 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . 0.432 ' OD2' ' OE2' ' A' ' 104' ' ' GLU . 4.5 m-20 -73.82 -6.73 48.88 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 120.856 -0.337 . . . . 0.0 110.213 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . 0.441 ' N ' ' O ' ' A' ' 93' ' ' ASP . 6.2 tt0 49.18 36.88 9.85 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.018 -179.489 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 53.6 p-10 -92.77 3.43 55.66 Favored 'General case' 0 N--CA 1.464 0.251 0 C-N-CA 120.739 -0.384 . . . . 0.0 111.345 -179.085 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . 0.532 ' N ' ' OD2' ' A' ' 93' ' ' ASP . . . 88.0 -9.63 73.85 Favored Glycine 0 CA--C 1.525 0.717 0 N-CA-C 111.395 -0.682 . . . . 0.0 111.395 179.57 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 60.7 m-85 -127.29 133.3 50.16 Favored 'General case' 0 N--CA 1.467 0.417 0 N-CA-C 110.273 -0.269 . . . . 0.0 110.273 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 38.7 mt -84.23 129.06 38.27 Favored 'Isoleucine or valine' 0 C--O 1.237 0.402 0 N-CA-C 108.936 -0.764 . . . . 0.0 108.936 179.062 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.5 m -96.04 154.1 17.42 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.592 -179.547 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -50.16 -40.66 47.34 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.346 -0.541 . . . . 0.0 110.22 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 78.1 p -64.73 -36.28 83.79 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.723 -0.391 . . . . 0.0 110.577 179.42 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.432 ' OE2' ' OD2' ' A' ' 95' ' ' ASP . 85.5 mt-10 -69.15 -42.03 76.51 Favored 'General case' 0 N--CA 1.444 -0.756 0 C-N-CA 120.563 -0.455 . . . . 0.0 109.996 179.029 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 27.8 tp -66.78 -40.77 88.31 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-O 121.128 0.49 . . . . 0.0 109.685 178.809 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 36.1 ttt85 -58.71 -49.97 75.62 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.258 -0.577 . . . . 0.0 109.766 179.349 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 11.7 t-160 -54.18 -41.09 68.16 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 -179.764 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 86.2 t -65.63 -42.78 93.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 C-N-CA 120.605 -0.438 . . . . 0.0 110.228 178.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 19.8 mmt -59.54 -44.08 93.31 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.647 -0.421 . . . . 0.0 110.331 -179.212 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 1.7 mp -65.0 -42.68 95.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 C-N-CA 120.518 -0.473 . . . . 0.0 110.182 177.785 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 19.8 t-20 -59.17 -33.59 71.11 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 -179.354 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 8.7 mp -81.0 -2.48 48.1 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.17 179.426 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 83.92 17.76 64.73 Favored Glycine 0 CA--C 1.526 0.763 0 N-CA-C 111.024 -0.831 . . . . 0.0 111.024 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -121.27 135.64 55.09 Favored 'General case' 0 N--CA 1.467 0.41 0 N-CA-C 109.666 -0.494 . . . . 0.0 109.666 179.595 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 39.5 pttt -140.27 119.12 12.52 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-O 120.738 0.304 . . . . 0.0 110.392 -179.609 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . 0.618 ' N ' ' CD2' ' A' ' 116' ' ' LEU . 0.9 OUTLIER -105.17 157.5 17.23 Favored 'General case' 0 N--CA 1.466 0.341 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 -179.967 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 19.9 p -63.99 164.51 10.37 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.064 -0.654 . . . . 0.0 109.347 -179.407 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 54.3 t0 -62.41 -40.35 96.23 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.378 -0.529 . . . . 0.0 110.564 -179.486 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -62.17 -33.72 75.05 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 120.687 -0.405 . . . . 0.0 110.667 -179.767 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 72.9 mm-40 -70.39 -45.29 66.28 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 120.512 -0.475 . . . . 0.0 110.514 179.14 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 74.8 t -63.26 -47.31 92.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 C-N-CA 120.46 -0.496 . . . . 0.0 110.15 179.68 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -57.29 -39.18 75.2 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 120.797 -0.361 . . . . 0.0 110.377 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 92.9 mt-30 -68.3 -39.13 82.16 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.732 -0.387 . . . . 0.0 110.768 179.216 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 90.1 mtp -62.64 -43.98 97.43 Favored 'General case' 0 N--CA 1.449 -0.497 0 C-N-CA 120.734 -0.386 . . . . 0.0 110.711 -179.447 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 9.6 mm -62.91 -48.2 89.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 C-N-CA 120.596 -0.442 . . . . 0.0 110.025 179.437 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 9.2 mtmp? -63.29 -44.31 95.4 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.992 179.708 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 71.5 mm-40 -68.01 -38.16 82.28 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.982 179.576 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -76.27 -28.95 57.26 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.167 -179.428 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 89.7 m-20 -75.16 114.73 14.0 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.211 0.529 . . . . 0.0 111.286 -179.276 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 57.7 tp -77.49 -29.07 52.4 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.716 -0.675 . . . . 0.0 111.28 179.712 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . 0.402 ' OD1' ' C ' ' A' ' 131' ' ' ASP . 41.2 p-10 -106.53 16.28 24.83 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 111.701 0.26 . . . . 0.0 111.701 -178.798 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 39.2 53.71 2.65 Favored Glycine 0 CA--C 1.53 0.985 0 C-N-CA 120.625 -0.798 . . . . 0.0 111.476 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . 0.511 ' OD1' ' N ' ' A' ' 135' ' ' GLN . 26.4 p30 -97.78 -15.84 20.12 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 117.009 0.405 . . . . 0.0 110.142 -179.691 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . 0.443 ' N ' ' OD1' ' A' ' 133' ' ' ASP . . . 97.29 -10.91 65.47 Favored Glycine 0 C--N 1.331 0.265 0 N-CA-C 110.319 -1.112 . . . . 0.0 110.319 179.66 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . 0.511 ' N ' ' OD1' ' A' ' 133' ' ' ASP . 4.6 mt-30 -118.22 134.98 54.54 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-O 120.578 0.228 . . . . 0.0 110.604 -178.736 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 89.0 t -80.05 121.84 34.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 N-CA-C 108.359 -0.978 . . . . 0.0 108.359 178.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 63.3 t30 -94.86 163.54 13.3 Favored 'General case' 0 N--CA 1.469 0.516 0 N-CA-C 110.1 -0.333 . . . . 0.0 110.1 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 43.5 t80 -45.72 -52.39 11.05 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.59 -0.444 . . . . 0.0 111.004 -178.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 38.5 tp10 -58.04 -42.55 85.61 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.76 -0.376 . . . . 0.0 111.092 -179.31 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 55.6 mt-10 -66.13 -41.75 90.04 Favored 'General case' 0 C--N 1.324 -0.512 0 C-N-CA 120.196 -0.602 . . . . 0.0 110.317 179.793 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 61.4 t80 -61.87 -50.82 70.7 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 179.198 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 53.6 t -59.47 -45.34 93.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 N-CA-C 109.138 -0.689 . . . . 0.0 109.138 179.698 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 63.9 tttp -60.89 -49.71 76.36 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.943 179.617 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 59.7 ttp -60.73 -39.24 87.88 Favored 'General case' 0 CA--C 1.515 -0.383 0 CA-C-O 121.431 0.634 . . . . 0.0 109.354 179.176 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 42.1 ttm -66.03 -38.77 89.25 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 115.136 -0.938 . . . . 0.0 110.098 179.736 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 78.5 mmm -62.15 -39.82 93.9 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.861 -0.422 . . . . 0.0 109.861 179.436 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 71.2 m . . . . . 0 C--N 1.33 -0.248 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.38 -179.756 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 . . . . . 0 N--CA 1.455 -0.212 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -43.95 -37.29 2.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.602 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 51.0 tp -60.59 -43.97 96.77 Favored 'General case' 0 C--N 1.331 -0.202 0 C-N-CA 120.284 -0.566 . . . . 0.0 110.114 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 60.0 mmtt -62.18 -39.14 91.71 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 120.471 -0.492 . . . . 0.0 110.406 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 38.5 tp10 -70.59 -48.84 53.24 Favored 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 120.476 -0.49 . . . . 0.0 109.988 179.504 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -55.79 -47.88 76.31 Favored 'General case' 0 C--N 1.319 -0.751 0 C-N-CA 120.261 -0.576 . . . . 0.0 110.367 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 54.6 t80 -57.06 -45.09 83.49 Favored 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 120.782 -0.367 . . . . 0.0 110.55 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.436 ' HG3' ' N ' ' A' ' 91' ' ' VAL . 0.0 OUTLIER -60.01 -29.53 68.55 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.232 0.539 . . . . 0.0 111.174 -179.909 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.436 ' N ' ' HG3' ' A' ' 90' ' ' LYS . 54.0 t -70.48 -46.71 69.3 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.207 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.262 -179.093 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -62.96 -30.9 71.93 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.251 179.297 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.548 ' OD2' ' N ' ' A' ' 98' ' ' GLY . 18.0 t0 -72.46 66.83 0.71 Allowed 'General case' 0 C--N 1.322 -0.623 0 C-N-CA 120.668 -0.413 . . . . 0.0 110.784 -179.39 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 75.7 tttt -51.78 -47.58 64.12 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.322 -0.551 . . . . 0.0 109.999 -179.417 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . 0.439 ' OD2' ' OE2' ' A' ' 104' ' ' GLU . 4.6 m-20 -72.94 -6.22 43.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.96 0.41 . . . . 0.0 110.054 -179.629 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 47.9 tt0 49.9 33.05 6.06 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.082 -0.508 . . . . 0.0 109.841 -179.613 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 48.9 p-10 -90.5 3.93 52.57 Favored 'General case' 0 C--N 1.329 -0.314 0 O-C-N 122.07 -0.394 . . . . 0.0 111.09 -179.147 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . 0.548 ' N ' ' OD2' ' A' ' 93' ' ' ASP . . . 83.35 -0.38 89.7 Favored Glycine 0 CA--C 1.527 0.84 0 N-CA-C 111.414 -0.674 . . . . 0.0 111.414 179.591 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 48.3 m-85 -133.11 138.14 46.57 Favored 'General case' 0 N--CA 1.469 0.475 0 N-CA-C 110.306 -0.257 . . . . 0.0 110.306 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 15.8 mt -90.61 126.63 43.38 Favored 'Isoleucine or valine' 0 C--O 1.239 0.522 0 N-CA-C 108.943 -0.762 . . . . 0.0 108.943 178.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 24.8 p -98.59 159.65 14.81 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.783 -179.447 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -53.76 -41.96 67.71 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.392 -0.523 . . . . 0.0 109.768 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' SER . . . . . 0.508 ' O ' ' ND1' ' A' ' 107' ' ' HIS . 77.2 p -58.58 -40.69 83.84 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-O 121.078 0.465 . . . . 0.0 110.327 179.8 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.439 ' OE2' ' OD2' ' A' ' 95' ' ' ASP . 95.5 mt-10 -73.12 -39.93 65.34 Favored 'General case' 0 N--CA 1.444 -0.735 0 C-N-CA 120.572 -0.451 . . . . 0.0 110.738 178.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 39.2 tp -62.46 -44.34 96.64 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-O 120.863 0.364 . . . . 0.0 111.295 -179.72 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . 0.402 ' HG3' ' N ' ' A' ' 107' ' ' HIS . 19.1 ptp180 -64.96 -43.59 92.17 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.504 -0.479 . . . . 0.0 110.108 179.596 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . 0.508 ' ND1' ' O ' ' A' ' 103' ' ' SER . 37.5 m170 -57.64 -44.52 85.67 Favored 'General case' 0 N--CA 1.452 -0.33 0 C-N-CA 120.49 -0.484 . . . . 0.0 109.815 -179.697 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 96.5 t -65.9 -42.78 92.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.272 179.327 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 3.6 mmt -62.62 -43.22 99.36 Favored 'General case' 0 C--N 1.332 -0.186 0 C-N-CA 120.543 -0.463 . . . . 0.0 110.361 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 94.2 mt -63.07 -44.65 99.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 C-N-CA 120.479 -0.489 . . . . 0.0 109.726 179.578 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 28.8 t30 -60.86 -28.61 68.98 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.728 -0.471 . . . . 0.0 109.728 179.564 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -82.42 -1.81 51.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.066 -179.858 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 87.94 13.15 64.95 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -116.02 127.58 55.02 Favored 'General case' 0 N--CA 1.467 0.42 0 N-CA-C 109.866 -0.42 . . . . 0.0 109.866 179.401 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 19.6 pttm -136.67 114.79 11.54 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-O 121.014 0.435 . . . . 0.0 110.53 -179.773 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 60.6 mt -109.01 163.92 12.88 Favored 'General case' 0 N--CA 1.466 0.351 0 N-CA-C 109.553 -0.536 . . . . 0.0 109.553 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 72.3 p -71.3 167.74 18.85 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . 0.534 ' OD1' ' N ' ' A' ' 119' ' ' GLU . 40.3 p-10 -64.41 -42.62 95.99 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.424 -0.51 . . . . 0.0 110.905 -179.76 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . 0.534 ' N ' ' OD1' ' A' ' 118' ' ' ASP . 96.8 mt-10 -58.22 -33.26 69.12 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.813 0.34 . . . . 0.0 110.747 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -73.9 -46.77 42.44 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 120.515 -0.474 . . . . 0.0 110.312 178.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 69.5 t -65.63 -43.99 93.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.076 179.475 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -63.21 -39.51 94.83 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.714 -0.394 . . . . 0.0 110.388 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 78.4 mm-40 -69.23 -41.22 77.31 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.682 -0.407 . . . . 0.0 110.503 179.238 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 45.7 ttp -65.03 -42.29 94.47 Favored 'General case' 0 N--CA 1.45 -0.458 0 C-N-CA 120.97 -0.292 . . . . 0.0 110.316 179.538 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 4.7 mm -64.27 -47.44 89.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 121.311 0.577 . . . . 0.0 109.781 179.64 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 54.7 mtpt -64.57 -39.88 94.54 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.811 179.384 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 75.9 tt0 -73.88 -35.83 64.75 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.818 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -75.44 -29.05 59.57 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.321 -179.343 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . 0.506 ' OD2' ' N ' ' A' ' 133' ' ' ASP . 28.7 t0 -70.87 110.8 5.83 Favored 'General case' 0 CA--C 1.509 -0.607 0 CA-C-O 121.215 0.531 . . . . 0.0 111.893 -179.16 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . 0.451 ' H ' ' CD ' ' A' ' 140' ' ' GLU . 51.6 tp -88.45 -26.44 22.1 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.409 -0.814 . . . . 0.0 111.35 179.365 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 44.1 m-20 -79.94 -10.61 59.79 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 120.921 -0.311 . . . . 0.0 111.553 -178.499 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 70.99 22.02 78.38 Favored Glycine 0 CA--C 1.527 0.789 0 C-N-CA 120.551 -0.833 . . . . 0.0 111.213 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . 0.506 ' N ' ' OD2' ' A' ' 129' ' ' ASP . 37.6 p-10 -95.02 -12.41 26.67 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-O 120.91 0.386 . . . . 0.0 110.39 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 85.34 11.27 75.76 Favored Glycine 0 C--N 1.331 0.287 0 N-CA-C 110.531 -1.028 . . . . 0.0 110.531 179.773 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 9.1 mt-30 -121.71 146.6 46.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.896 0.379 . . . . 0.0 110.382 -178.597 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 6.4 t -87.67 117.32 31.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 N-CA-C 108.158 -1.052 . . . . 0.0 108.158 178.431 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 58.2 t30 -103.41 169.75 8.35 Favored 'General case' 0 N--CA 1.468 0.44 0 N-CA-C 109.965 -0.383 . . . . 0.0 109.965 179.325 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 69.2 t80 -45.65 -52.12 11.25 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 120.936 -0.306 . . . . 0.0 110.967 -178.753 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 83.1 tt0 -60.48 -45.07 95.08 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 120.841 -0.343 . . . . 0.0 111.21 -179.454 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . 0.451 ' CD ' ' H ' ' A' ' 130' ' ' LEU . 57.8 mt-10 -67.0 -43.36 83.14 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 120.181 -0.608 . . . . 0.0 110.493 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . 0.481 ' O ' ' N ' ' A' ' 145' ' ' MET . 55.9 t80 -60.64 -49.54 77.09 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.176 -0.676 . . . . 0.0 109.176 179.357 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 35.3 t -60.09 -46.52 94.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 179.322 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 26.4 tptp -62.97 -48.59 78.2 Favored 'General case' 0 N--CA 1.444 -0.731 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.376 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 144' ' ' MET . . . . . 0.446 ' C ' ' SD ' ' A' ' 144' ' ' MET . 9.0 tmm? -66.72 -43.09 85.19 Favored 'General case' 0 CA--C 1.51 -0.558 0 CA-C-O 121.615 0.722 . . . . 0.0 110.03 178.92 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 145' ' ' MET . . . . . 0.481 ' N ' ' O ' ' A' ' 141' ' ' PHE . 11.4 tmm? -61.53 -37.84 85.24 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 114.739 -1.119 . . . . 0.0 109.916 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 15.2 mmt -71.05 -40.94 71.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.278 178.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 5.7 m . . . . . 0 C--N 1.331 -0.206 0 CA-C-O 121.017 0.437 . . . . 0.0 110.804 -179.383 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 . . . . . 0 N--CA 1.457 -0.117 0 N-CA-C 109.045 -0.724 . . . . 0.0 109.045 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -44.55 -36.33 2.95 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.571 -0.452 . . . . 0.0 110.509 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 31.6 mt -62.97 -44.69 95.35 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.343 -0.543 . . . . 0.0 110.589 179.563 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 24.3 mtpp -62.6 -41.16 98.81 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.38 -0.528 . . . . 0.0 110.357 179.18 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 83.3 tt0 -72.3 -49.9 31.11 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.607 -0.437 . . . . 0.0 110.112 179.501 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -53.86 -46.46 71.29 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 120.285 -0.566 . . . . 0.0 110.075 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 69.9 t80 -60.32 -43.21 96.6 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.035 179.153 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 65.0 tttm -61.27 -32.12 71.94 Favored 'General case' 0 C--N 1.332 -0.193 0 C-N-CA 120.885 -0.326 . . . . 0.0 110.493 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 84.6 t -78.25 -31.96 16.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 C-N-CA 120.638 -0.425 . . . . 0.0 110.505 179.339 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -65.91 -35.55 80.92 Favored 'General case' 0 C--N 1.331 -0.199 0 C-N-CA 120.391 -0.524 . . . . 0.0 110.445 179.712 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.539 ' OD2' ' N ' ' A' ' 98' ' ' GLY . 10.7 t0 -76.14 75.68 2.98 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 120.307 -0.557 . . . . 0.0 111.05 -179.116 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.452 ' HZ2' ' ND1' ' A' ' 107' ' ' HIS . 53.7 mtpt -51.8 -46.5 64.26 Favored 'General case' 0 C--N 1.333 -0.142 0 C-N-CA 120.331 -0.548 . . . . 0.0 110.01 -179.855 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . 0.421 ' OD2' ' OE2' ' A' ' 104' ' ' GLU . 5.0 m-20 -71.4 -4.88 28.77 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.943 0.401 . . . . 0.0 109.93 179.81 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . 0.43 ' N ' ' OD1' ' A' ' 93' ' ' ASP . 35.4 tt0 50.84 29.1 4.09 Favored 'General case' 0 C--N 1.324 -0.512 0 C-N-CA 120.541 -0.464 . . . . 0.0 110.081 -179.798 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 51.4 p-10 -84.58 0.01 51.57 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 122.037 -0.414 . . . . 0.0 111.031 -179.36 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . 0.539 ' N ' ' OD2' ' A' ' 93' ' ' ASP . . . 86.86 -9.36 72.22 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.421 ' N ' ' OD2' ' A' ' 93' ' ' ASP . 33.0 m-85 -127.2 133.67 50.23 Favored 'General case' 0 N--CA 1.469 0.52 0 N-CA-C 110.185 -0.302 . . . . 0.0 110.185 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . 0.436 ' O ' ' NE2' ' A' ' 135' ' ' GLN . 20.7 mt -82.96 128.43 38.73 Favored 'Isoleucine or valine' 0 C--O 1.233 0.19 0 N-CA-C 109.035 -0.728 . . . . 0.0 109.035 179.102 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 6.9 p -95.85 153.06 17.94 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.637 -179.513 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -49.68 -39.67 37.33 Favored 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 120.333 -0.547 . . . . 0.0 109.901 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 67.7 m -61.54 -39.02 89.57 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-O 120.876 0.37 . . . . 0.0 110.613 179.084 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.421 ' OE2' ' OD2' ' A' ' 95' ' ' ASP . 90.7 mt-10 -70.62 -42.08 71.39 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 120.583 -0.447 . . . . 0.0 110.396 179.509 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.481 ' CD1' ' C ' ' A' ' 105' ' ' LEU . 2.8 tm? -64.62 -44.02 91.87 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-O 121.443 0.639 . . . . 0.0 110.097 178.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 9.4 tpt180 -61.61 -46.83 88.15 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 120.236 -0.585 . . . . 0.0 109.973 179.693 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . 0.452 ' ND1' ' HZ2' ' A' ' 94' ' ' LYS . 11.8 t-160 -53.93 -39.79 66.17 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 120.486 -0.486 . . . . 0.0 109.829 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 74.7 t -61.63 -42.88 95.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 C-N-CA 120.732 -0.387 . . . . 0.0 110.093 179.057 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' MET . . . . . 0.564 ' SD ' ' N ' ' A' ' 109' ' ' MET . 0.0 OUTLIER -58.95 -41.25 86.99 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.565 -0.454 . . . . 0.0 110.361 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 12.8 mm -64.18 -44.56 97.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 179.083 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 7.1 t-20 -59.25 -33.45 71.04 Favored 'General case' 0 C--N 1.331 -0.209 0 C-N-CA 120.712 -0.395 . . . . 0.0 109.943 179.725 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 8.6 mp -80.98 -4.36 54.79 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.868 179.328 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 82.66 20.54 61.52 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -113.04 129.42 56.51 Favored 'General case' 0 N--CA 1.467 0.392 0 N-CA-C 109.643 -0.503 . . . . 0.0 109.643 179.635 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 16.2 pttm -129.73 108.63 10.33 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-O 120.79 0.328 . . . . 0.0 110.239 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 5.0 mp -110.88 160.0 17.18 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 179.719 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 6.6 p -69.15 161.62 28.75 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.066 -0.653 . . . . 0.0 109.602 -179.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -62.06 -39.03 91.0 Favored 'General case' 0 C--N 1.331 -0.205 0 C-N-CA 120.421 -0.512 . . . . 0.0 110.669 179.79 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 77.3 mt-10 -56.34 -38.48 71.42 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.654 -0.418 . . . . 0.0 110.516 179.781 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -70.47 -46.55 63.56 Favored 'General case' 0 N--CA 1.448 -0.533 0 C-N-CA 120.465 -0.494 . . . . 0.0 110.111 179.294 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 70.2 t -63.28 -48.75 85.99 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 C-N-CA 120.321 -0.552 . . . . 0.0 110.186 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -56.0 -37.36 69.02 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.625 -0.43 . . . . 0.0 110.274 179.66 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 65.7 tp60 -67.54 -41.03 84.95 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 120.492 -0.483 . . . . 0.0 110.4 179.114 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 39.1 ttp -64.54 -44.53 90.52 Favored 'General case' 0 N--CA 1.449 -0.497 0 C-N-CA 120.794 -0.363 . . . . 0.0 110.424 -179.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 7.9 mm -62.42 -48.59 87.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 121.064 0.459 . . . . 0.0 109.825 179.173 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 27.1 mmtp -63.75 -43.18 97.21 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.761 179.458 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 76.0 tt0 -68.81 -36.18 77.91 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.804 179.778 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -78.45 -29.08 46.72 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.033 -179.362 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 82.6 m-20 -79.91 124.16 28.42 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 120.368 -0.533 . . . . 0.0 111.466 -179.132 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 2.3 pp -85.69 -17.27 36.47 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.247 179.559 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 38.7 p30 -113.97 14.35 18.42 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.988 -0.285 . . . . 0.0 111.53 -179.341 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 41.47 32.65 0.8 Allowed Glycine 0 CA--C 1.53 1.015 0 C-N-CA 120.317 -0.944 . . . . 0.0 111.219 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . 0.555 ' OD1' ' N ' ' A' ' 134' ' ' GLY . 48.5 p30 -75.42 -19.85 59.24 Favored 'General case' 0 N--CA 1.462 0.167 0 C-N-CA 120.49 -0.484 . . . . 0.0 110.391 179.816 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . 0.555 ' N ' ' OD1' ' A' ' 133' ' ' ASP . . . 96.66 -6.83 65.23 Favored Glycine 0 C--N 1.331 0.259 0 N-CA-C 110.336 -1.106 . . . . 0.0 110.336 179.538 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . 0.436 ' NE2' ' O ' ' A' ' 100' ' ' ILE . 21.2 mm100 -117.38 131.37 56.79 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-O 120.544 0.212 . . . . 0.0 110.475 -178.854 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 86.4 t -80.82 118.56 28.79 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.241 0 N-CA-C 108.37 -0.974 . . . . 0.0 108.37 178.706 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 65.4 t30 -94.32 170.01 9.81 Favored 'General case' 0 N--CA 1.47 0.53 0 N-CA-C 110.042 -0.355 . . . . 0.0 110.042 179.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 83.7 t80 -51.8 -49.29 63.05 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.576 -0.45 . . . . 0.0 111.01 -178.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 39.8 tp10 -56.98 -45.01 83.23 Favored 'General case' 0 CA--C 1.519 -0.218 0 O-C-N 122.054 -0.404 . . . . 0.0 111.115 -179.488 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -67.83 -38.81 83.7 Favored 'General case' 0 C--N 1.316 -0.891 0 C-N-CA 120.159 -0.617 . . . . 0.0 110.04 179.263 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . 0.471 ' O ' ' N ' ' A' ' 145' ' ' MET . 70.0 t80 -62.25 -50.77 70.4 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 108.776 -0.824 . . . . 0.0 108.776 179.071 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 55.5 t -59.5 -47.52 90.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 179.422 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 3.2 tppp? -61.86 -48.62 79.69 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.725 179.034 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 55.5 ttp -63.17 -40.37 97.35 Favored 'General case' 0 CA--C 1.513 -0.464 0 CA-C-O 121.53 0.681 . . . . 0.0 109.326 178.599 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 145' ' ' MET . . . . . 0.471 ' N ' ' O ' ' A' ' 141' ' ' PHE . 28.1 tpp -63.95 -39.86 95.1 Favored 'General case' 0 N--CA 1.444 -0.761 0 CA-C-N 115.36 -0.836 . . . . 0.0 109.679 -179.395 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 86.5 mtp -62.15 -38.78 90.29 Favored 'General case' 0 N--CA 1.451 -0.402 0 N-CA-C 110.044 -0.354 . . . . 0.0 110.044 179.323 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 73.1 m . . . . . 0 C--N 1.331 -0.223 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.682 -179.774 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 83.2 tt0 . . . . . 0 N--CA 1.454 -0.233 0 N-CA-C 108.922 -0.77 . . . . 0.0 108.922 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -43.79 -35.13 1.78 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.477 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 56.5 tp -61.9 -44.67 96.33 Favored 'General case' 0 C--N 1.332 -0.194 0 C-N-CA 120.383 -0.527 . . . . 0.0 110.26 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 53.3 mtpt -62.49 -40.53 96.99 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 120.416 -0.514 . . . . 0.0 110.349 179.753 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 81.6 tt0 -67.68 -50.81 55.83 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.606 -0.437 . . . . 0.0 109.943 179.441 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -52.72 -45.39 66.93 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 179.769 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 62.8 t80 -55.5 -45.32 77.08 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.787 -0.449 . . . . 0.0 109.787 179.539 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 28.4 mmtp -60.11 -32.8 71.33 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.769 179.701 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 97.3 t -68.55 -48.07 73.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 C-N-CA 120.483 -0.487 . . . . 0.0 110.716 179.489 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -63.29 -33.2 75.0 Favored 'General case' 0 N--CA 1.465 0.296 0 C-N-CA 120.787 -0.365 . . . . 0.0 110.167 179.65 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.439 ' OD2' ' N ' ' A' ' 98' ' ' GLY . 39.3 t0 -71.77 64.38 0.47 Allowed 'General case' 0 C--N 1.324 -0.541 0 C-N-CA 120.681 -0.408 . . . . 0.0 110.677 -179.403 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 58.4 tttm -52.08 -48.31 64.76 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 120.383 -0.527 . . . . 0.0 109.947 -179.217 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . 0.414 ' OD2' ' OE2' ' A' ' 104' ' ' GLU . 7.5 m-20 -67.37 -7.94 28.76 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.045 0.45 . . . . 0.0 109.891 -179.833 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 99.0 mt-30 49.8 36.95 12.16 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.232 -179.597 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . 0.408 ' OD1' ' O ' ' A' ' 99' ' ' TYR . 35.9 p-10 -96.39 7.0 47.57 Favored 'General case' 0 N--CA 1.465 0.298 0 C-N-CA 121.073 -0.251 . . . . 0.0 111.317 -179.402 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . 0.439 ' N ' ' OD2' ' A' ' 93' ' ' ASP . . . 82.0 -9.0 58.68 Favored Glycine 0 CA--C 1.527 0.8 0 N-CA-C 111.356 -0.698 . . . . 0.0 111.356 179.427 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.408 ' O ' ' OD1' ' A' ' 97' ' ' ASN . 30.2 m-85 -128.39 135.26 49.3 Favored 'General case' 0 N--CA 1.469 0.485 0 N-CA-C 110.161 -0.311 . . . . 0.0 110.161 -179.83 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 31.9 mt -82.91 129.07 38.07 Favored 'Isoleucine or valine' 0 C--O 1.235 0.33 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 179.047 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 17.0 t -95.34 160.37 14.56 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.615 -179.246 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -56.87 -43.85 81.64 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 120.329 -0.548 . . . . 0.0 109.855 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 67.4 m -56.71 -39.02 73.14 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-O 120.931 0.395 . . . . 0.0 110.408 179.75 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.414 ' OE2' ' OD2' ' A' ' 95' ' ' ASP . 95.5 mt-10 -71.82 -35.72 70.0 Favored 'General case' 0 N--CA 1.444 -0.762 0 C-N-CA 120.753 -0.379 . . . . 0.0 110.564 179.48 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.37 -43.95 96.06 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-O 121.123 0.487 . . . . 0.0 110.124 -179.09 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 8.9 ptm180 -71.0 -38.94 72.67 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 120.441 -0.504 . . . . 0.0 110.108 179.461 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 58.5 t-80 -58.02 -42.46 85.31 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 179.799 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 78.5 t -65.05 -43.19 95.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.241 -0.436 . . . . 0.0 109.99 178.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 20.9 mmt -60.77 -40.98 94.55 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.59 -0.444 . . . . 0.0 110.068 -179.665 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 97.6 mt -65.07 -44.3 95.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 C-N-CA 120.648 -0.421 . . . . 0.0 109.952 179.112 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 25.0 t30 -60.43 -31.41 70.38 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.226 -0.443 . . . . 0.0 109.994 179.705 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 8.1 mp -82.8 -1.86 52.93 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.008 179.479 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 84.49 20.39 58.59 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 75.1 mt-10 -115.72 130.35 56.82 Favored 'General case' 0 N--CA 1.466 0.338 0 N-CA-C 109.666 -0.494 . . . . 0.0 109.666 179.677 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 4.9 ptpp? -126.91 108.56 11.09 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-O 120.914 0.388 . . . . 0.0 110.071 179.778 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 55.5 mt -108.4 153.81 22.75 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 109.607 -0.516 . . . . 0.0 109.607 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 72.3 p -70.45 164.54 24.45 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -62.39 -37.96 87.76 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.348 -0.541 . . . . 0.0 110.507 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -57.66 -36.92 72.54 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 120.635 -0.426 . . . . 0.0 110.545 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 -71.94 -48.06 47.95 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.477 -0.489 . . . . 0.0 110.164 179.054 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 81.6 t -62.25 -48.3 89.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 C-N-CA 120.652 -0.419 . . . . 0.0 109.929 179.61 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 83.9 tt0 -58.02 -37.08 73.66 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.68 -0.408 . . . . 0.0 110.097 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 65.7 tt0 -68.96 -40.6 78.79 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 120.622 -0.431 . . . . 0.0 110.553 179.258 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 44.0 ttm -63.39 -43.96 96.06 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-O 120.743 0.306 . . . . 0.0 110.485 -179.677 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 7.2 mm -62.72 -48.21 89.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 121.203 0.525 . . . . 0.0 109.772 179.493 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 42.6 mmtm -65.48 -44.32 87.49 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.972 179.601 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 36.4 tp10 -68.94 -36.25 77.73 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.725 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -78.9 -30.28 44.8 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.188 -179.187 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 86.3 m-20 -76.28 119.49 20.25 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.206 0.527 . . . . 0.0 111.395 -179.208 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 6.7 tt -79.08 -24.72 43.31 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.239 179.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . 0.411 ' O ' ' C ' ' A' ' 132' ' ' GLY . 45.3 p-10 -113.82 15.42 18.64 Favored 'General case' 0 N--CA 1.469 0.486 0 N-CA-C 111.576 0.213 . . . . 0.0 111.576 -178.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . 0.411 ' C ' ' O ' ' A' ' 131' ' ' ASP . . . 39.3 39.28 1.04 Allowed Glycine 0 CA--C 1.53 0.989 0 N-CA-C 111.189 -0.764 . . . . 0.0 111.189 179.698 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . 0.483 ' OD1' ' N ' ' A' ' 135' ' ' GLN . 19.8 p30 -78.3 -17.49 56.53 Favored 'General case' 0 N--CA 1.461 0.121 0 O-C-N 122.504 -0.409 . . . . 0.0 110.399 -179.87 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . 0.444 ' N ' ' OD1' ' A' ' 133' ' ' ASP . . . 97.92 -10.24 64.05 Favored Glycine 0 C--N 1.331 0.254 0 N-CA-C 110.196 -1.162 . . . . 0.0 110.196 179.583 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . 0.483 ' N ' ' OD1' ' A' ' 133' ' ' ASP . 8.8 mt-30 -118.48 131.7 56.25 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-O 120.668 0.271 . . . . 0.0 110.313 -178.797 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 52.9 t -81.19 121.48 34.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 N-CA-C 108.485 -0.932 . . . . 0.0 108.485 178.65 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 65.4 t30 -98.42 166.36 11.4 Favored 'General case' 0 N--CA 1.469 0.489 0 N-CA-C 110.124 -0.324 . . . . 0.0 110.124 179.463 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 85.5 t80 -51.24 -44.16 61.65 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.788 -0.365 . . . . 0.0 111.096 -178.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -58.24 -45.76 87.17 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.041 0.448 . . . . 0.0 110.896 -179.317 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -69.29 -38.52 78.34 Favored 'General case' 0 C--N 1.317 -0.805 0 C-N-CA 120.062 -0.655 . . . . 0.0 110.035 179.623 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 36.9 t80 -63.37 -56.5 15.8 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.287 -0.565 . . . . 0.0 110.081 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . 0.452 ' CG1' ' N ' ' A' ' 143' ' ' LYS . 7.8 p -58.18 -43.82 86.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 -179.333 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 143' ' ' LYS . . . . . 0.452 ' N ' ' CG1' ' A' ' 142' ' ' VAL . 64.9 tttp -62.9 -50.0 72.57 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.048 179.123 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 51.9 ttp -61.84 -39.52 92.12 Favored 'General case' 0 CA--C 1.512 -0.516 0 CA-C-O 121.632 0.729 . . . . 0.0 109.323 178.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 34.3 ttm -61.57 -39.88 92.74 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.006 -0.997 . . . . 0.0 109.706 179.771 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 84.8 mmm -64.32 -40.46 95.94 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.8 -0.36 . . . . 0.0 110.043 179.439 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 25.4 m . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.418 179.832 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 13.9 tm-20 . . . . . 0 N--CA 1.455 -0.196 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -46.03 -46.21 16.49 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.588 -0.445 . . . . 0.0 110.43 -179.804 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 76.4 mt -62.41 -44.85 95.45 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.267 -0.573 . . . . 0.0 110.323 179.559 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 64.5 tttp -63.0 -41.87 99.7 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 120.452 -0.499 . . . . 0.0 110.268 179.255 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 47.0 tp10 -68.39 -52.37 33.72 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 120.67 -0.412 . . . . 0.0 109.992 179.715 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -52.28 -45.37 65.45 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.389 -0.524 . . . . 0.0 109.877 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 54.4 t80 -57.81 -45.01 86.71 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.575 -0.45 . . . . 0.0 110.052 179.068 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -64.85 -34.21 77.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.74 0.305 . . . . 0.0 110.795 179.603 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 59.9 t -80.74 -33.36 13.41 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 C-N-CA 120.642 -0.423 . . . . 0.0 110.679 179.603 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -60.47 -34.11 73.55 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 120.215 -0.594 . . . . 0.0 110.51 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.554 ' OD2' ' N ' ' A' ' 97' ' ' ASN . 37.1 t0 -69.52 87.3 0.47 Allowed 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 120.261 -0.575 . . . . 0.0 111.053 -178.914 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 84.0 tttt -55.88 -52.89 62.48 Favored 'General case' 0 C--N 1.332 -0.157 0 C-N-CA 120.105 -0.638 . . . . 0.0 110.435 -179.2 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . 0.429 ' OD1' ' OD1' ' A' ' 93' ' ' ASP . 50.8 p30 -75.74 0.64 17.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.002 0.43 . . . . 0.0 110.336 -179.665 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 47.5 tp60 48.28 35.47 5.61 Favored 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 120.512 -0.475 . . . . 0.0 110.225 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . 0.554 ' N ' ' OD2' ' A' ' 93' ' ' ASP . 43.6 p-10 -79.0 -13.48 59.76 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 120.649 -0.42 . . . . 0.0 110.99 -179.399 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 97.46 0.23 59.55 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 111.236 -0.746 . . . . 0.0 111.236 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 25.4 m-85 -135.33 142.61 45.82 Favored 'General case' 0 C--O 1.222 -0.35 0 CA-C-N 116.847 0.324 . . . . 0.0 110.305 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 4.1 mm -82.34 115.15 24.37 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.159 0 N-CA-C 108.758 -0.83 . . . . 0.0 108.758 178.69 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 25.6 m -89.19 155.14 19.6 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.591 -179.34 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -58.56 -45.52 88.8 Favored 'General case' 0 C--N 1.332 -0.178 0 C-N-CA 120.294 -0.562 . . . . 0.0 110.305 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 52.2 m -59.96 -42.74 94.74 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 120.709 -0.396 . . . . 0.0 110.593 179.503 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -65.16 -35.98 82.78 Favored 'General case' 0 N--CA 1.447 -0.61 0 C-N-CA 120.47 -0.492 . . . . 0.0 110.179 179.468 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 32.7 tp -67.17 -41.92 85.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.267 0.556 . . . . 0.0 110.427 178.809 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 83.5 mtp180 -61.53 -48.76 79.54 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 120.206 -0.598 . . . . 0.0 109.959 -179.723 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 53.9 t-80 -54.59 -43.08 71.82 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.582 -0.447 . . . . 0.0 109.817 179.622 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 69.7 t -64.89 -41.85 93.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 C-N-CA 120.615 -0.434 . . . . 0.0 110.127 178.528 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 40.7 mtt -58.67 -42.47 88.57 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.462 -0.495 . . . . 0.0 110.403 -179.469 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 1.9 mp -66.97 -43.16 89.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-O 121.02 0.438 . . . . 0.0 109.967 178.412 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . 0.436 ' OD1' ' O ' ' A' ' 111' ' ' ASN . 31.6 t-20 -60.91 -33.09 72.6 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.252 -179.864 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -81.51 -0.33 41.42 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.127 179.367 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 84.71 10.94 78.28 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -106.94 121.9 45.36 Favored 'General case' 0 N--CA 1.465 0.301 0 N-CA-C 109.724 -0.473 . . . . 0.0 109.724 179.644 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 14.9 pttp -126.6 103.93 7.84 Favored 'General case' 0 N--CA 1.465 0.296 0 N-CA-C 110.019 -0.363 . . . . 0.0 110.019 -179.575 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 2.0 mp -108.38 156.72 19.1 Favored 'General case' 0 N--CA 1.466 0.329 0 N-CA-C 109.611 -0.514 . . . . 0.0 109.611 179.727 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 30.9 p -66.24 160.48 24.25 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 119.954 -0.698 . . . . 0.0 109.596 -179.436 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 90.9 m-20 -60.01 -34.94 74.03 Favored 'General case' 0 C--N 1.332 -0.17 0 C-N-CA 120.429 -0.508 . . . . 0.0 110.425 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -64.77 -34.89 79.42 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.721 -0.392 . . . . 0.0 110.352 179.328 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 60.0 mt-10 -69.78 -48.73 58.13 Favored 'General case' 0 N--CA 1.448 -0.56 0 C-N-CA 120.469 -0.492 . . . . 0.0 110.193 179.104 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 92.4 t -65.56 -47.11 87.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 C-N-CA 120.51 -0.476 . . . . 0.0 110.262 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 93.8 mt-10 -59.89 -40.87 90.19 Favored 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 120.476 -0.489 . . . . 0.0 110.444 179.834 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 78.1 mm-40 -67.47 -40.01 85.31 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 120.565 -0.454 . . . . 0.0 110.688 179.296 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 32.8 tpp -65.23 -42.84 93.02 Favored 'General case' 0 N--CA 1.448 -0.555 0 C-N-CA 120.72 -0.392 . . . . 0.0 110.299 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 67.4 mt -64.2 -44.73 97.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-O 121.217 0.532 . . . . 0.0 110.017 179.039 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 36.2 mmtm -62.01 -41.97 98.65 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.406 179.506 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 81.9 tt0 -70.33 -36.01 73.98 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.946 0.403 . . . . 0.0 110.777 179.293 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -75.46 -30.72 60.05 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.981 -179.353 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . 0.4 ' OD1' ' OE1' ' A' ' 140' ' ' GLU . 4.8 m-20 -73.41 114.92 12.17 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.325 -0.55 . . . . 0.0 111.5 -178.567 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 10.7 tp -84.8 -26.17 27.68 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.218 179.62 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . 0.412 ' O ' ' C ' ' A' ' 132' ' ' GLY . 20.6 p30 -100.75 10.79 40.71 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.939 -0.304 . . . . 0.0 111.422 -179.084 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . 0.412 ' C ' ' O ' ' A' ' 131' ' ' ASP . . . 40.17 51.19 3.57 Favored Glycine 0 CA--C 1.528 0.891 0 C-N-CA 120.252 -0.975 . . . . 0.0 111.383 -179.894 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . 0.511 ' OD1' ' N ' ' A' ' 135' ' ' GLN . 41.9 p-10 -97.1 -15.91 20.75 Favored 'General case' 0 C--O 1.23 0.077 0 O-C-N 122.236 -0.567 . . . . 0.0 110.356 179.688 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . 0.503 ' N ' ' OD1' ' A' ' 133' ' ' ASP . . . 94.05 -11.0 71.41 Favored Glycine 0 C--N 1.33 0.225 0 N-CA-C 110.031 -1.228 . . . . 0.0 110.031 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . 0.511 ' N ' ' OD1' ' A' ' 133' ' ' ASP . 8.6 mt-30 -112.55 134.05 54.29 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-O 120.578 0.227 . . . . 0.0 110.509 -179.027 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 48.5 t -81.01 110.11 16.13 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.255 0 N-CA-C 108.366 -0.976 . . . . 0.0 108.366 178.507 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . 0.42 ' OD1' ' N ' ' A' ' 140' ' ' GLU . 47.7 p30 -90.12 169.49 11.12 Favored 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 120.814 -0.354 . . . . 0.0 110.325 -179.655 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 79.1 t80 -56.61 -45.83 81.25 Favored 'General case' 0 CA--C 1.531 0.25 0 C-N-CA 120.606 -0.437 . . . . 0.0 111.055 -178.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 35.9 tp10 -56.87 -44.89 82.67 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-O 120.841 0.353 . . . . 0.0 111.056 -179.448 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . 0.42 ' N ' ' OD1' ' A' ' 137' ' ' ASN . 29.6 mt-10 -72.82 -34.41 66.82 Favored 'General case' 0 C--N 1.313 -0.986 0 C-N-CA 120.251 -0.58 . . . . 0.0 109.899 178.9 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 71.5 t80 -64.21 -55.49 21.29 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 120.025 -0.67 . . . . 0.0 109.449 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . 0.446 ' CG1' ' N ' ' A' ' 143' ' ' LYS . 10.5 p -59.43 -43.88 91.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.062 -179.593 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 143' ' ' LYS . . . . . 0.446 ' N ' ' CG1' ' A' ' 142' ' ' VAL . 64.9 tttm -60.17 -50.77 72.35 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.533 -0.758 . . . . 0.0 109.729 179.187 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 16.3 tmm? -61.39 -37.05 82.02 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.515 0.674 . . . . 0.0 109.364 178.55 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 60.8 tpp -67.74 -40.38 84.16 Favored 'General case' 0 N--CA 1.443 -0.822 0 CA-C-N 115.33 -0.85 . . . . 0.0 109.854 -179.574 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 1.6 ttp -61.39 -34.08 74.74 Favored 'General case' 0 N--CA 1.452 -0.373 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 179.607 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 11.7 m . . . . . 0 C--N 1.332 -0.189 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.6 -179.491 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 83.1 tt0 . . . . . 0 C--O 1.232 0.154 0 N-CA-C 108.573 -0.899 . . . . 0.0 108.573 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 45.1 tt0 -46.07 -45.87 16.47 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.76 -0.376 . . . . 0.0 110.169 179.724 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 4.2 tt -60.49 -45.95 91.88 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.11 -0.636 . . . . 0.0 110.382 -179.651 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 50.5 mtpt -59.74 -39.11 83.63 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 120.359 -0.536 . . . . 0.0 110.348 179.526 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 80.4 tt0 -68.3 -50.4 53.79 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.507 -0.477 . . . . 0.0 110.116 179.467 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -55.18 -49.93 70.64 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.472 -0.491 . . . . 0.0 109.848 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 37.7 t80 -56.27 -44.07 79.41 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.895 -0.409 . . . . 0.0 109.895 179.264 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 63.8 tttp -59.75 -33.16 71.31 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.678 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 77.1 t -69.58 -44.77 79.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 C-N-CA 120.618 -0.433 . . . . 0.0 110.843 179.601 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -64.82 -34.62 78.8 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.485 -0.486 . . . . 0.0 110.539 -179.645 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.517 ' OD2' ' N ' ' A' ' 98' ' ' GLY . 28.2 t0 -71.53 63.64 0.41 Allowed 'General case' 0 C--N 1.323 -0.567 0 C-N-CA 120.471 -0.492 . . . . 0.0 110.651 -179.25 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 57.6 tttp -47.29 -47.23 25.35 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 120.448 -0.501 . . . . 0.0 110.464 -179.201 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . 0.452 ' OD2' ' ND2' ' A' ' 97' ' ' ASN . 48.5 p-10 -74.91 -3.64 33.29 Favored 'General case' 0 C--N 1.325 -0.472 0 C-N-CA 120.837 -0.345 . . . . 0.0 110.451 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . 0.493 ' N ' ' O ' ' A' ' 93' ' ' ASP . 85.9 mt-30 48.73 38.29 11.37 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.157 -179.604 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . 0.452 ' ND2' ' OD2' ' A' ' 95' ' ' ASP . 53.0 p-10 -90.29 7.27 39.23 Favored 'General case' 0 N--CA 1.464 0.253 0 C-N-CA 120.741 -0.383 . . . . 0.0 111.312 -179.272 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . 0.517 ' N ' ' OD2' ' A' ' 93' ' ' ASP . . . 81.1 -6.12 64.24 Favored Glycine 0 CA--C 1.526 0.726 0 N-CA-C 111.373 -0.691 . . . . 0.0 111.373 179.755 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 41.2 m-85 -125.42 169.84 11.97 Favored 'General case' 0 N--CA 1.469 0.488 0 N-CA-C 109.798 -0.445 . . . . 0.0 109.798 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . 0.435 HG21 HD13 ' A' ' 100' ' ' ILE . 78.4 mt -120.8 130.35 74.69 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.43 0 N-CA-C 109.029 -0.73 . . . . 0.0 109.029 178.673 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 86.5 p -104.92 155.23 19.13 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.551 -179.474 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -51.92 -39.16 58.67 Favored 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 120.392 -0.523 . . . . 0.0 109.896 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 80.6 p -60.63 -43.03 97.99 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 120.729 -0.388 . . . . 0.0 110.435 179.497 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -69.21 -40.35 78.03 Favored 'General case' 0 N--CA 1.443 -0.823 0 O-C-N 121.881 -0.512 . . . . 0.0 110.479 179.419 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 36.1 tp -65.0 -43.09 93.67 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 120.822 -0.351 . . . . 0.0 110.8 179.725 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . 0.477 ' CG ' ' N ' ' A' ' 107' ' ' HIS . 12.2 ptt180 -61.05 -46.38 90.91 Favored 'General case' 0 C--N 1.323 -0.586 0 C-N-CA 120.168 -0.613 . . . . 0.0 109.956 -179.736 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . 0.477 ' N ' ' CG ' ' A' ' 106' ' ' ARG . 18.9 t-80 -57.96 -43.02 86.21 Favored 'General case' 0 N--CA 1.452 -0.364 0 N-CA-C 108.902 -0.777 . . . . 0.0 108.902 -178.628 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 69.5 t -64.44 -43.93 97.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.095 178.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 15.6 mmt -60.5 -41.97 95.41 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.558 -0.457 . . . . 0.0 110.244 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 96.9 mt -63.88 -44.1 97.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 N-CA-C 109.751 -0.463 . . . . 0.0 109.751 179.122 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 6.5 t-20 -63.19 -32.82 74.31 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.96 -0.385 . . . . 0.0 109.96 179.496 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 52.6 mt -76.17 -2.65 32.17 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.099 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 84.54 11.53 77.37 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.897 -0.881 . . . . 0.0 110.897 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -108.68 125.06 51.48 Favored 'General case' 0 N--CA 1.466 0.37 0 N-CA-C 109.866 -0.42 . . . . 0.0 109.866 179.817 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.444 ' H ' ' HD2' ' A' ' 115' ' ' LYS . 0.0 OUTLIER -125.69 102.94 7.56 Favored 'General case' 0 N--CA 1.468 0.464 0 N-CA-C 110.041 -0.355 . . . . 0.0 110.041 -179.141 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 4.2 mp -105.33 154.49 20.21 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.938 -0.393 . . . . 0.0 109.938 179.708 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 66.1 p -66.41 162.45 20.43 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.145 -0.622 . . . . 0.0 109.532 -179.759 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -62.0 -38.77 89.87 Favored 'General case' 0 C--O 1.233 0.197 0 C-N-CA 120.303 -0.559 . . . . 0.0 110.561 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -56.84 -34.95 68.29 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.63 -0.428 . . . . 0.0 110.576 179.813 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -73.51 -48.68 31.37 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 120.467 -0.493 . . . . 0.0 110.1 179.115 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 79.0 t -64.67 -44.22 96.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 C-N-CA 120.578 -0.449 . . . . 0.0 110.182 179.405 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 46.3 tp10 -63.88 -37.97 89.35 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.651 -0.419 . . . . 0.0 110.098 179.826 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 59.1 tt0 -71.31 -41.93 69.28 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.722 -0.391 . . . . 0.0 110.446 179.472 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 43.4 ttp -64.16 -42.33 96.78 Favored 'General case' 0 N--CA 1.45 -0.467 0 C-N-CA 120.846 -0.342 . . . . 0.0 110.272 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 4.8 mm -63.78 -45.55 96.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 121.24 0.543 . . . . 0.0 109.821 179.309 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 67.1 mmtt -66.27 -41.47 89.82 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.89 179.154 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 37.6 tp10 -72.91 -35.31 67.04 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.124 179.782 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -71.68 -32.15 67.55 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.264 -179.296 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . 0.552 ' OD2' ' N ' ' A' ' 133' ' ' ASP . 20.9 t70 -74.74 119.91 19.56 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.019 0.438 . . . . 0.0 111.621 -178.619 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 45.0 tp -86.6 -24.11 25.5 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.833 -0.622 . . . . 0.0 111.605 179.653 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . 0.459 ' OD1' ' OD1' ' A' ' 129' ' ' ASP . 41.5 p-10 -103.42 10.05 37.49 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 121.002 -0.279 . . . . 0.0 111.464 -178.861 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . 0.476 ' CA ' ' OD2' ' A' ' 129' ' ' ASP . . . 44.49 29.22 1.74 Allowed Glycine 0 CA--C 1.531 1.092 0 C-N-CA 120.269 -0.967 . . . . 0.0 111.249 179.758 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . 0.552 ' N ' ' OD2' ' A' ' 129' ' ' ASP . 17.1 p-10 -73.65 -17.77 61.11 Favored 'General case' 0 C--O 1.231 0.131 0 CA-C-N 117.054 0.427 . . . . 0.0 110.428 179.586 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 98.43 -7.48 61.75 Favored Glycine 0 C--N 1.33 0.195 0 N-CA-C 110.26 -1.136 . . . . 0.0 110.26 179.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -124.6 141.53 52.03 Favored 'General case' 0 N--CA 1.452 -0.375 0 CA-C-O 120.541 0.21 . . . . 0.0 110.555 -178.75 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 22.7 t -80.65 121.56 34.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 N-CA-C 108.524 -0.917 . . . . 0.0 108.524 178.664 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 64.1 t30 -96.35 166.68 11.6 Favored 'General case' 0 N--CA 1.47 0.536 0 N-CA-C 110.187 -0.301 . . . . 0.0 110.187 179.376 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 43.6 t80 -46.82 -52.25 14.65 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 120.598 -0.441 . . . . 0.0 111.019 -178.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 83.6 tt0 -58.71 -44.4 90.35 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.656 -0.418 . . . . 0.0 111.299 -179.337 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 71.6 mt-10 -63.5 -41.01 98.54 Favored 'General case' 0 C--N 1.32 -0.68 0 C-N-CA 120.26 -0.576 . . . . 0.0 110.274 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . 0.476 ' O ' ' N ' ' A' ' 145' ' ' MET . 56.6 t80 -63.89 -48.95 74.61 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 178.92 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 56.8 t -58.87 -47.38 89.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 N-CA-C 109.127 -0.694 . . . . 0.0 109.127 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 62.6 tttm -63.82 -48.31 77.35 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.94 -0.573 . . . . 0.0 109.844 179.414 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 47.7 ttp -63.1 -43.28 98.91 Favored 'General case' 0 CA--C 1.515 -0.383 0 CA-C-O 121.463 0.649 . . . . 0.0 109.527 178.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 145' ' ' MET . . . . . 0.476 ' N ' ' O ' ' A' ' 141' ' ' PHE . 8.1 tmm? -62.62 -37.93 88.25 Favored 'General case' 0 C--N 1.314 -0.936 0 CA-C-N 115.112 -0.949 . . . . 0.0 110.125 -179.581 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 40.4 mtt -65.99 -40.6 91.34 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.159 179.273 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 26.0 m . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.501 -179.518 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 . . . . . 0 N--CA 1.455 -0.18 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 40.5 tp10 -47.3 -43.0 22.14 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 120.699 -0.4 . . . . 0.0 110.222 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 7.0 tt -62.94 -44.03 97.18 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.399 -0.52 . . . . 0.0 110.476 179.518 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -61.28 -35.82 78.36 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 120.55 -0.46 . . . . 0.0 109.898 179.701 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 82.4 tt0 -67.68 -50.57 57.02 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 109.724 -0.473 . . . . 0.0 109.724 179.438 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -52.76 -45.99 67.31 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 54.7 t80 -55.88 -43.09 76.86 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.664 -0.495 . . . . 0.0 109.664 179.419 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -62.62 -32.39 73.41 Favored 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 120.75 -0.38 . . . . 0.0 110.534 179.509 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 70.4 t -69.51 -48.52 65.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 C-N-CA 120.515 -0.474 . . . . 0.0 110.786 179.44 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -64.54 -32.29 73.87 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.498 -0.481 . . . . 0.0 110.129 179.771 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 63.6 t0 -76.18 57.78 1.16 Allowed 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 120.557 -0.457 . . . . 0.0 110.706 -179.391 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -52.21 -44.91 65.02 Favored 'General case' 0 C--O 1.234 0.255 0 C-N-CA 120.305 -0.558 . . . . 0.0 110.043 -179.584 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . 0.453 ' OD2' ' OE2' ' A' ' 104' ' ' GLU . 5.4 m-20 -65.94 -9.12 26.9 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.827 -0.435 . . . . 0.0 109.827 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 99.0 mm-40 53.31 20.14 1.81 Allowed 'General case' 0 C--N 1.324 -0.5 0 C-N-CA 120.493 -0.483 . . . . 0.0 110.292 -179.749 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 46.5 p-10 -77.55 -0.87 27.94 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 120.8 -0.36 . . . . 0.0 111.221 -179.185 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 83.79 -0.62 89.45 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 111.391 -0.683 . . . . 0.0 111.391 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.497 ' CE2' ' OD1' ' A' ' 137' ' ' ASN . 50.3 m-85 -135.03 139.6 44.94 Favored 'General case' 0 N--CA 1.465 0.296 0 O-C-N 122.695 -0.297 . . . . 0.0 110.331 -179.767 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 14.2 mt -88.22 131.3 36.12 Favored 'Isoleucine or valine' 0 C--O 1.238 0.493 0 N-CA-C 108.686 -0.857 . . . . 0.0 108.686 178.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 44.2 t -103.06 159.49 15.47 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.795 -179.172 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -52.16 -41.35 62.51 Favored 'General case' 0 C--O 1.234 0.255 0 C-N-CA 120.297 -0.561 . . . . 0.0 109.988 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 92.8 p -57.01 -39.86 75.55 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 120.76 -0.376 . . . . 0.0 110.363 179.753 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.453 ' OE2' ' OD2' ' A' ' 95' ' ' ASP . 92.1 mt-10 -73.17 -38.56 66.14 Favored 'General case' 0 N--CA 1.441 -0.875 0 C-N-CA 120.48 -0.488 . . . . 0.0 110.256 179.123 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.0 -45.8 93.36 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.487 -0.485 . . . . 0.0 110.756 -179.42 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . 0.411 ' HG3' ' N ' ' A' ' 107' ' ' HIS . 41.1 ptt180 -69.15 -42.48 75.88 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 120.348 -0.541 . . . . 0.0 110.401 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . 0.411 ' N ' ' HG3' ' A' ' 106' ' ' ARG . 9.3 t-80 -56.86 -40.95 77.09 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 -179.707 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 65.2 t -65.17 -43.03 95.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 C-N-CA 120.733 -0.387 . . . . 0.0 110.119 178.797 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 17.2 mmt -59.76 -40.8 89.39 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.61 -0.436 . . . . 0.0 110.125 -179.757 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . 0.413 HD11 HG22 ' A' ' 110' ' ' ILE . 97.6 mt -65.47 -44.02 94.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 C-N-CA 120.366 -0.533 . . . . 0.0 109.988 178.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 16.4 t30 -58.96 -30.55 68.0 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.922 -0.399 . . . . 0.0 109.922 179.701 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 8.6 mp -82.64 0.28 43.83 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.851 179.392 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 81.89 18.1 68.5 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 -179.846 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -119.82 136.95 54.27 Favored 'General case' 0 N--CA 1.466 0.366 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 179.814 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 16.3 pttp -123.8 106.9 10.86 Favored 'General case' 0 N--CA 1.469 0.478 0 N-CA-C 110.086 -0.339 . . . . 0.0 110.086 -179.796 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . 0.565 ' N ' ' CD2' ' A' ' 116' ' ' LEU . 3.4 mm? -90.59 153.19 20.52 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.85 -0.426 . . . . 0.0 109.85 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 17.0 p -70.68 158.28 36.51 Favored 'General case' 0 C--N 1.331 -0.197 0 C-N-CA 119.981 -0.688 . . . . 0.0 109.48 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -63.35 -41.41 98.85 Favored 'General case' 0 C--N 1.332 -0.188 0 C-N-CA 120.379 -0.528 . . . . 0.0 110.575 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -68.06 -29.97 69.06 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.796 -0.362 . . . . 0.0 110.609 179.669 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 33.8 tp10 -73.81 -48.14 33.52 Favored 'General case' 0 N--CA 1.449 -0.523 0 C-N-CA 120.607 -0.437 . . . . 0.0 110.147 179.384 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 71.1 t -62.42 -47.37 93.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 N-CA-C 109.619 -0.511 . . . . 0.0 109.619 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 75.7 mm-40 -58.95 -35.82 73.78 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.563 -0.455 . . . . 0.0 109.971 179.261 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -62.15 -48.05 81.81 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.46 -0.496 . . . . 0.0 110.419 179.451 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 124' ' ' MET . . . . . 0.44 ' O ' ' N ' ' A' ' 128' ' ' ALA . 58.4 mtm -65.11 -39.8 93.62 Favored 'General case' 0 N--CA 1.449 -0.483 0 C-N-CA 120.803 -0.359 . . . . 0.0 110.245 179.313 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 4.3 mm -63.02 -46.22 96.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 C-N-CA 120.375 -0.53 . . . . 0.0 109.64 179.266 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -69.42 -39.17 78.04 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.893 178.78 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 34.6 tp10 -73.93 -35.99 64.64 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.993 -0.548 . . . . 0.0 111.243 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . 0.44 ' N ' ' O ' ' A' ' 124' ' ' MET . . . -75.46 -28.16 59.17 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.283 -179.049 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . 0.436 ' OD1' ' OD1' ' A' ' 133' ' ' ASP . 38.4 t0 -72.57 111.89 8.14 Favored 'General case' 0 C--N 1.322 -0.619 0 C-N-CA 120.462 -0.495 . . . . 0.0 111.98 -178.867 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . 0.539 ' H ' ' CD ' ' A' ' 140' ' ' GLU . 8.7 tp -88.43 -23.66 23.24 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.196 179.418 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . 0.433 ' C ' ' H ' ' A' ' 133' ' ' ASP . 31.9 m-20 -89.44 2.26 54.74 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.882 -0.327 . . . . 0.0 111.276 -178.724 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 58.21 5.03 2.08 Favored Glycine 0 CA--C 1.529 0.966 0 C-N-CA 120.28 -0.962 . . . . 0.0 111.111 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . 0.436 ' OD1' ' OD1' ' A' ' 129' ' ' ASP . 35.0 p-10 -67.89 -16.9 64.3 Favored 'General case' 0 N--CA 1.461 0.121 0 CA-C-N 117.215 0.508 . . . . 0.0 110.39 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 87.98 7.19 74.48 Favored Glycine 0 C--N 1.33 0.198 0 N-CA-C 110.169 -1.172 . . . . 0.0 110.169 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -121.67 143.74 49.17 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 110.423 -0.214 . . . . 0.0 110.423 -179.079 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 14.6 t -83.56 115.41 25.82 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.305 0 N-CA-C 108.619 -0.882 . . . . 0.0 108.619 178.717 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . 0.497 ' OD1' ' CE2' ' A' ' 99' ' ' TYR . 62.0 t30 -96.65 167.34 11.18 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 120.884 -0.326 . . . . 0.0 110.266 179.78 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 77.7 t80 -48.07 -52.33 20.7 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 120.791 -0.363 . . . . 0.0 110.62 -178.754 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 80.0 tt0 -58.94 -44.16 91.32 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.642 -0.423 . . . . 0.0 111.175 -179.376 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . 0.539 ' CD ' ' H ' ' A' ' 130' ' ' LEU . 75.7 mt-10 -65.7 -41.02 92.84 Favored 'General case' 0 C--N 1.32 -0.714 0 C-N-CA 120.134 -0.626 . . . . 0.0 110.389 179.814 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 58.4 t80 -63.67 -50.71 68.19 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.224 -0.591 . . . . 0.0 109.528 179.303 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 53.6 t -59.38 -45.44 93.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 115.927 -0.579 . . . . 0.0 109.445 179.681 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 26.2 tptp -61.23 -49.92 75.16 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.878 179.429 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 16.2 tmm? -62.34 -39.38 92.93 Favored 'General case' 0 CA--C 1.512 -0.493 0 CA-C-O 121.41 0.624 . . . . 0.0 109.462 178.606 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 33.6 ttm -67.44 -40.43 85.46 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.256 -0.883 . . . . 0.0 109.944 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 2.9 mmt -62.09 -36.26 81.16 Favored 'General case' 0 N--CA 1.45 -0.444 0 N-CA-C 109.964 -0.384 . . . . 0.0 109.964 179.438 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 96.5 m . . . . . 0 C--N 1.327 -0.41 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.357 -179.459 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 81.3 tt0 . . . . . 0 C--O 1.235 0.335 0 N-CA-C 108.15 -1.055 . . . . 0.0 108.15 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -45.24 -33.47 2.37 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.677 -0.409 . . . . 0.0 110.261 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 2.4 tt -61.19 -45.05 96.19 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 120.243 -0.583 . . . . 0.0 110.304 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 58.5 mttp -63.08 -40.12 96.73 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 120.37 -0.532 . . . . 0.0 110.361 179.016 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 82.5 tt0 -68.76 -51.95 35.74 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.592 -0.443 . . . . 0.0 109.956 179.679 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -53.16 -45.1 68.31 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 120.508 -0.477 . . . . 0.0 109.735 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 70.3 t80 -58.2 -43.11 87.43 Favored 'General case' 0 N--CA 1.453 -0.28 0 C-N-CA 120.87 -0.332 . . . . 0.0 110.114 179.117 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -64.23 -32.56 74.2 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.897 -0.321 . . . . 0.0 110.655 179.468 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 97.2 t -81.93 -25.88 9.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 C-N-CA 120.678 -0.409 . . . . 0.0 110.678 179.544 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -64.64 -33.67 76.48 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.491 -0.484 . . . . 0.0 110.511 179.615 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.549 ' OD2' ' N ' ' A' ' 98' ' ' GLY . 21.6 t0 -82.59 75.26 9.5 Favored 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 120.382 -0.527 . . . . 0.0 110.902 -178.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 64.6 tttp -47.27 -42.91 21.62 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.433 -0.507 . . . . 0.0 109.857 -179.71 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -71.89 -7.47 48.69 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.894 -0.322 . . . . 0.0 110.23 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . 0.533 ' N ' ' O ' ' A' ' 93' ' ' ASP . 14.8 mm100 54.72 32.84 18.21 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.248 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 9.3 m120 -86.28 4.38 39.2 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.614 -0.435 . . . . 0.0 111.032 -179.564 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . 0.549 ' N ' ' OD2' ' A' ' 93' ' ' ASP . . . 76.3 -8.17 26.79 Favored Glycine 0 CA--C 1.528 0.845 0 N-CA-C 110.917 -0.873 . . . . 0.0 110.917 -179.558 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 28.0 m-85 -127.15 135.66 51.02 Favored 'General case' 0 N--CA 1.469 0.505 0 O-C-N 122.582 -0.363 . . . . 0.0 110.102 179.675 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 4.3 mt -83.09 122.99 38.23 Favored 'Isoleucine or valine' 0 C--O 1.238 0.467 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 179.161 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 38.5 t -100.29 165.48 11.45 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.67 -179.275 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -54.38 -44.96 72.7 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.299 -0.561 . . . . 0.0 109.937 179.657 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 72.7 m -57.38 -39.87 76.98 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.808 -0.357 . . . . 0.0 110.45 179.568 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.421 ' OE2' ' OD1' ' A' ' 93' ' ' ASP . 77.3 mt-10 -74.13 -39.18 63.49 Favored 'General case' 0 N--CA 1.44 -0.93 0 O-C-N 121.899 -0.501 . . . . 0.0 110.165 179.436 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.84 -46.82 88.07 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 120.534 -0.466 . . . . 0.0 110.295 -179.591 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 16.9 ptm180 -69.99 -41.3 74.57 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 120.304 -0.558 . . . . 0.0 110.289 179.656 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 11.7 t-80 -57.0 -45.18 83.18 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 -179.757 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 73.9 t -64.62 -42.48 95.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 C-N-CA 120.635 -0.426 . . . . 0.0 110.263 178.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 7.4 mmt -61.69 -42.4 98.87 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 120.579 -0.448 . . . . 0.0 110.08 -179.645 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 96.7 mt -64.84 -44.51 96.31 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 C-N-CA 120.461 -0.496 . . . . 0.0 109.984 179.186 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . 0.401 ' OD1' ' O ' ' A' ' 111' ' ' ASN . 20.7 t-20 -62.57 -32.36 73.33 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 179.556 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 48.7 mt -78.69 -1.06 32.61 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.043 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 83.12 15.25 72.66 Favored Glycine 0 CA--C 1.525 0.717 0 N-CA-C 110.88 -0.888 . . . . 0.0 110.88 -179.828 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 73.2 mt-10 -116.53 133.25 56.23 Favored 'General case' 0 N--CA 1.466 0.344 0 N-CA-C 109.928 -0.397 . . . . 0.0 109.928 179.662 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.54 112.98 9.97 Favored 'General case' 0 N--CA 1.467 0.421 0 N-CA-C 110.034 -0.358 . . . . 0.0 110.034 -179.883 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . 0.633 ' N ' ' CD2' ' A' ' 116' ' ' LEU . 0.8 OUTLIER -103.14 158.31 16.39 Favored 'General case' 0 N--CA 1.466 0.373 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 -179.857 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 12.2 m -63.26 161.8 13.19 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.112 -0.635 . . . . 0.0 109.415 -179.389 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 47.5 t0 -61.46 -37.56 84.04 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 120.453 -0.499 . . . . 0.0 110.467 -179.767 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -67.09 -30.95 71.13 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.736 -0.386 . . . . 0.0 110.608 179.301 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 56.0 mt-10 -70.58 -46.35 63.62 Favored 'General case' 0 N--CA 1.452 -0.334 0 C-N-CA 120.537 -0.465 . . . . 0.0 110.148 179.298 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 85.8 t -62.38 -48.19 89.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 C-N-CA 120.621 -0.432 . . . . 0.0 110.235 179.685 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -59.17 -39.41 82.39 Favored 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 120.665 -0.414 . . . . 0.0 110.125 179.665 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 -63.92 -47.75 79.31 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.576 -0.45 . . . . 0.0 110.59 179.539 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 124' ' ' MET . . . . . 0.436 ' O ' ' N ' ' A' ' 128' ' ' ALA . 74.7 mtm -64.16 -41.92 96.94 Favored 'General case' 0 N--CA 1.449 -0.487 0 C-N-CA 120.679 -0.408 . . . . 0.0 110.224 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 4.4 mm -64.16 -45.28 96.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 C-N-CA 120.484 -0.486 . . . . 0.0 109.731 179.314 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 27.4 mmtp -68.33 -42.22 79.64 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.788 179.201 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 79.3 tt0 -72.82 -36.33 67.49 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.992 179.791 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . 0.436 ' N ' ' O ' ' A' ' 124' ' ' MET . . . -71.73 -32.63 67.96 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.051 -179.425 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . 0.452 ' OD1' ' OD1' ' A' ' 133' ' ' ASP . 32.0 t0 -68.65 109.48 3.81 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.012 0.434 . . . . 0.0 111.769 -178.72 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . 0.545 ' N ' ' OE2' ' A' ' 140' ' ' GLU . 48.3 tp -89.94 -30.41 17.86 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.558 179.229 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . 0.464 ' OD2' ' ND2' ' A' ' 137' ' ' ASN . 39.9 m-20 -78.39 -11.46 59.95 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 120.862 -0.335 . . . . 0.0 111.519 -178.425 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 70.03 25.18 75.93 Favored Glycine 0 CA--C 1.529 0.91 0 C-N-CA 120.328 -0.939 . . . . 0.0 111.366 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . 0.452 ' OD1' ' OD1' ' A' ' 129' ' ' ASP . 41.3 p-10 -94.56 -15.93 23.68 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 117.111 0.455 . . . . 0.0 110.246 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 91.59 0.97 71.86 Favored Glycine 0 C--N 1.33 0.231 0 N-CA-C 110.386 -1.086 . . . . 0.0 110.386 179.851 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 13.7 mt-30 -117.04 138.55 51.52 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.577 0.227 . . . . 0.0 110.564 -179.022 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 40.7 t -86.72 109.48 19.07 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.305 0 N-CA-C 108.419 -0.956 . . . . 0.0 108.419 178.328 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . 0.464 ' ND2' ' OD2' ' A' ' 131' ' ' ASP . 55.0 p30 -95.59 175.95 6.35 Favored 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 120.896 -0.322 . . . . 0.0 110.186 -179.909 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 63.1 t80 -51.7 -43.32 62.73 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.618 -0.433 . . . . 0.0 110.977 -179.155 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . 0.475 ' O ' HG12 ' A' ' 142' ' ' VAL . 14.1 tm-20 -60.33 -49.28 78.21 Favored 'General case' 0 N--CA 1.466 0.327 0 C-N-CA 120.64 -0.424 . . . . 0.0 111.019 -179.37 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . 0.545 ' OE2' ' N ' ' A' ' 130' ' ' LEU . 39.3 mt-10 -68.16 -39.42 82.59 Favored 'General case' 0 C--N 1.313 -0.99 0 C-N-CA 120.129 -0.628 . . . . 0.0 109.849 179.569 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 72.8 t80 -63.54 -55.14 26.25 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.131 -0.628 . . . . 0.0 110.188 -179.416 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . 0.484 ' CG1' ' N ' ' A' ' 143' ' ' LYS . 8.2 p -59.09 -44.78 92.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.65 -179.432 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 143' ' ' LYS . . . . . 0.484 ' N ' ' CG1' ' A' ' 142' ' ' VAL . 88.5 tttt -61.43 -50.08 74.25 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.704 179.348 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 44.0 ttp -61.33 -39.54 90.92 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.423 0.63 . . . . 0.0 109.335 178.833 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 36.8 ttm -64.51 -39.53 93.95 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.127 -0.942 . . . . 0.0 109.966 -179.767 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 89.5 mtp -63.17 -38.83 92.72 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 110.016 -0.365 . . . . 0.0 110.016 179.369 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 25.3 m . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.403 -179.711 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 80.4 tt0 . . . . . 0 C--O 1.232 0.168 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 51.8 tp10 -46.94 -38.12 10.08 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.716 -0.394 . . . . 0.0 110.367 -179.774 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 54.1 tp -60.9 -46.34 91.04 Favored 'General case' 0 C--N 1.331 -0.208 0 C-N-CA 120.274 -0.571 . . . . 0.0 110.36 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 15.5 mmmt -62.04 -38.97 90.76 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.516 -0.474 . . . . 0.0 110.326 179.647 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 47.0 tp10 -67.89 -52.57 34.95 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.557 -0.457 . . . . 0.0 110.114 179.626 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -52.02 -44.21 64.06 Favored 'General case' 0 N--CA 1.455 -0.225 0 N-CA-C 109.736 -0.468 . . . . 0.0 109.736 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 78.8 t80 -57.35 -45.89 83.89 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 179.46 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 65.0 mmtt -60.55 -33.46 72.71 Favored 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 120.779 -0.368 . . . . 0.0 110.695 179.252 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 97.1 t -72.57 -41.72 63.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 120.921 0.391 . . . . 0.0 110.478 179.139 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -60.21 -35.99 76.66 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.644 -0.422 . . . . 0.0 110.333 -179.458 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.518 ' OD2' ' N ' ' A' ' 98' ' ' GLY . 38.1 t0 -70.59 77.89 0.59 Allowed 'General case' 0 C--N 1.324 -0.5 0 C-N-CA 120.428 -0.509 . . . . 0.0 110.951 -178.841 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -54.63 -50.19 68.71 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 120.361 -0.535 . . . . 0.0 109.986 -179.727 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . 0.404 ' OD2' ' OE2' ' A' ' 104' ' ' GLU . 4.6 m-20 -73.03 -0.64 14.45 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.953 0.406 . . . . 0.0 110.112 -179.854 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 49.4 tp60 46.2 33.67 1.86 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.01 -179.805 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 47.4 p-10 -88.62 -5.32 58.24 Favored 'General case' 0 N--CA 1.464 0.268 0 C-N-CA 120.719 -0.392 . . . . 0.0 111.322 -179.014 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . 0.518 ' N ' ' OD2' ' A' ' 93' ' ' ASP . . . 95.42 -13.78 66.1 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 179.849 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 12.9 m-85 -122.68 132.66 54.36 Favored 'General case' 0 N--CA 1.47 0.529 0 O-C-N 122.75 -0.264 . . . . 0.0 110.606 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 16.1 mt -82.11 125.6 39.81 Favored 'Isoleucine or valine' 0 C--O 1.232 0.169 0 N-CA-C 108.872 -0.788 . . . . 0.0 108.872 179.195 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 4.2 m -93.65 151.62 19.54 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.489 -179.358 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -51.26 -40.32 58.62 Favored 'General case' 0 C--N 1.331 -0.212 0 C-N-CA 120.364 -0.534 . . . . 0.0 109.916 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 69.2 m -60.95 -40.74 94.46 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 120.82 -0.352 . . . . 0.0 110.589 179.446 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.404 ' OE2' ' OD2' ' A' ' 95' ' ' ASP . 79.5 mt-10 -64.64 -39.31 93.47 Favored 'General case' 0 N--CA 1.442 -0.832 0 C-N-CA 120.591 -0.444 . . . . 0.0 110.339 179.626 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.59 -40.67 97.53 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-O 121.229 0.538 . . . . 0.0 109.907 179.824 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 93.4 mtm-85 -61.9 -47.23 85.88 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 120.259 -0.576 . . . . 0.0 110.243 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 25.0 m170 -53.53 -42.56 67.54 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.771 -0.455 . . . . 0.0 109.771 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 90.4 t -64.49 -42.11 94.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.305 -0.407 . . . . 0.0 109.991 179.253 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 19.0 mmt -59.28 -43.7 92.51 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.603 -0.439 . . . . 0.0 110.179 -179.415 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 2.0 mp -66.85 -42.79 89.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 C-N-CA 120.548 -0.461 . . . . 0.0 109.823 178.822 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 14.1 t-20 -58.6 -34.17 70.82 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.306 -0.406 . . . . 0.0 109.925 -179.78 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 8.4 mp -81.1 -2.25 47.57 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.063 179.308 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 82.3 18.91 65.63 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.954 -0.859 . . . . 0.0 110.954 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -119.79 135.21 54.95 Favored 'General case' 0 N--CA 1.468 0.45 0 N-CA-C 109.639 -0.504 . . . . 0.0 109.639 179.668 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 18.0 pttp -137.76 116.28 12.05 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-O 120.77 0.319 . . . . 0.0 110.335 -179.679 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . 0.611 ' N ' ' CD2' ' A' ' 116' ' ' LEU . 0.9 OUTLIER -105.9 157.57 17.39 Favored 'General case' 0 N--CA 1.467 0.381 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 -179.972 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 69.1 p -65.47 162.97 16.81 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 120.178 -0.609 . . . . 0.0 109.461 -179.644 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 91.5 m-20 -61.49 -40.46 94.62 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.408 -0.517 . . . . 0.0 110.562 -179.725 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . 0.492 ' OE1' ' N ' ' A' ' 119' ' ' GLU . 56.5 mp0 -59.16 -36.61 75.59 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.687 -0.405 . . . . 0.0 110.692 179.877 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -71.12 -48.28 53.13 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.449 -0.5 . . . . 0.0 110.348 179.159 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 99.4 t -63.36 -47.68 90.81 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.272 0 C-N-CA 120.634 -0.426 . . . . 0.0 110.191 179.71 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -60.48 -40.95 93.16 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.717 -0.393 . . . . 0.0 110.238 179.46 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 48.5 tp60 -66.3 -43.49 86.14 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 120.653 -0.419 . . . . 0.0 110.453 179.495 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 43.3 ttp -60.73 -41.84 96.12 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-O 120.782 0.325 . . . . 0.0 110.536 -179.704 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . 0.447 ' O ' ' OD1' ' A' ' 129' ' ' ASP . 6.7 mm -63.2 -44.55 99.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 N-CA-C 109.577 -0.527 . . . . 0.0 109.577 179.784 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -63.74 -43.4 96.57 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.046 179.63 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -68.39 -37.44 80.37 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.103 179.695 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -76.16 -29.66 57.81 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.307 -179.295 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . 0.447 ' OD1' ' O ' ' A' ' 125' ' ' ILE . 2.9 m-20 -74.32 113.33 11.41 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.17 0.509 . . . . 0.0 111.337 -179.067 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 9.5 tp -80.17 -28.31 38.81 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.405 179.804 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . 0.416 ' N ' ' OD1' ' A' ' 131' ' ' ASP . 39.2 p-10 -113.26 12.22 18.88 Favored 'General case' 0 N--CA 1.466 0.367 0 N-CA-C 111.729 0.27 . . . . 0.0 111.729 -179.13 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 41.04 39.64 2.1 Favored Glycine 0 CA--C 1.53 1.026 0 C-N-CA 120.484 -0.865 . . . . 0.0 111.379 179.64 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . 0.538 ' OD1' ' N ' ' A' ' 135' ' ' GLN . 49.1 p30 -71.12 -16.19 62.55 Favored 'General case' 0 C--O 1.228 -0.049 0 O-C-N 122.463 -0.433 . . . . 0.0 110.268 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . 0.509 ' N ' ' OD1' ' A' ' 133' ' ' ASP . . . 105.48 -14.0 47.05 Favored Glycine 0 C--N 1.332 0.358 0 N-CA-C 110.311 -1.116 . . . . 0.0 110.311 179.602 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . 0.538 ' N ' ' OD1' ' A' ' 133' ' ' ASP . 28.2 mp0 -132.23 147.91 52.43 Favored 'General case' 0 N--CA 1.448 -0.539 0 CA-C-O 120.743 0.306 . . . . 0.0 110.699 -178.752 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 43.8 t -81.55 119.95 32.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 N-CA-C 108.209 -1.034 . . . . 0.0 108.209 178.69 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 34.7 p30 -95.92 173.8 7.26 Favored 'General case' 0 N--CA 1.467 0.418 0 N-CA-C 110.11 -0.33 . . . . 0.0 110.11 179.776 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 84.6 t80 -53.27 -48.16 68.53 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.461 -0.496 . . . . 0.0 111.149 -178.798 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . 0.408 ' O ' HG12 ' A' ' 142' ' ' VAL . 80.4 tt0 -57.21 -45.25 83.96 Favored 'General case' 0 C--N 1.333 -0.11 0 CA-C-O 120.998 0.428 . . . . 0.0 110.859 -179.535 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 52.7 mt-10 -70.52 -37.32 74.09 Favored 'General case' 0 C--N 1.319 -0.724 0 C-N-CA 120.063 -0.655 . . . . 0.0 109.674 179.118 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . 0.455 ' O ' ' N ' ' A' ' 145' ' ' MET . 79.9 t80 -62.6 -56.88 13.79 Favored 'General case' 0 N--CA 1.454 -0.248 0 C-N-CA 120.171 -0.612 . . . . 0.0 109.925 -179.72 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . 0.446 ' CG1' ' N ' ' A' ' 143' ' ' LYS . 11.8 p -57.35 -44.71 84.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 N-CA-C 109.473 -0.565 . . . . 0.0 109.473 -179.595 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 143' ' ' LYS . . . . . 0.446 ' N ' ' CG1' ' A' ' 142' ' ' VAL . 65.8 tttm -61.94 -49.14 77.32 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.638 179.201 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 60.0 ttp -62.77 -39.62 94.73 Favored 'General case' 0 CA--C 1.513 -0.445 0 CA-C-O 121.676 0.75 . . . . 0.0 109.353 178.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 145' ' ' MET . . . . . 0.455 ' N ' ' O ' ' A' ' 141' ' ' PHE . 34.9 ttm -62.3 -40.24 95.65 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.103 -0.953 . . . . 0.0 110.064 179.753 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 74.9 mtp -66.07 -41.48 90.7 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.832 -0.347 . . . . 0.0 110.203 179.337 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 25.0 m . . . . . 0 C--N 1.331 -0.21 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.579 -179.585 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 . . . . . 0 N--CA 1.454 -0.244 0 N-CA-C 109.149 -0.686 . . . . 0.0 109.149 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -48.34 -43.74 33.62 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.619 -0.432 . . . . 0.0 110.446 -179.666 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 57.4 tp -62.79 -45.58 91.97 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.365 -0.534 . . . . 0.0 110.404 179.353 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 62.6 tttp -59.27 -33.73 71.41 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 120.434 -0.507 . . . . 0.0 110.221 179.765 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -68.74 -50.84 47.35 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 109.91 -0.404 . . . . 0.0 109.91 179.622 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -52.51 -47.35 66.7 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.333 -0.547 . . . . 0.0 109.875 179.761 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 32.1 t80 -56.71 -42.28 78.89 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.746 -0.382 . . . . 0.0 110.037 179.13 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.662 ' HZ3' HE22 ' A' ' 96' ' ' GLN . 62.3 tttp -61.1 -33.05 72.74 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.776 -0.369 . . . . 0.0 110.472 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 85.4 t -69.57 -46.4 75.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 C-N-CA 120.518 -0.473 . . . . 0.0 110.667 179.569 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -65.56 -34.44 78.26 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 120.448 -0.501 . . . . 0.0 110.211 179.615 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 41.0 t0 -71.16 60.36 0.27 Allowed 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 120.447 -0.501 . . . . 0.0 110.71 -179.36 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 55.6 mtpt -52.9 -48.19 67.38 Favored 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 120.343 -0.543 . . . . 0.0 110.215 -179.214 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -67.23 -7.71 26.08 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.941 0.4 . . . . 0.0 109.997 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . 0.662 HE22 ' HZ3' ' A' ' 90' ' ' LYS . 16.4 mm100 50.9 28.66 3.88 Favored 'General case' 0 C--N 1.325 -0.494 0 C-N-CA 120.414 -0.514 . . . . 0.0 110.184 -179.605 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . 0.428 ' OD1' ' O ' ' A' ' 99' ' ' TYR . 47.4 p30 -86.39 4.7 38.25 Favored 'General case' 0 C--N 1.328 -0.347 0 O-C-N 121.965 -0.459 . . . . 0.0 111.126 -179.156 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 81.02 -7.16 60.49 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 111.221 -0.751 . . . . 0.0 111.221 179.826 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.428 ' O ' ' OD1' ' A' ' 97' ' ' ASN . 39.2 m-85 -128.67 134.97 48.67 Favored 'General case' 0 N--CA 1.469 0.477 0 N-CA-C 110.203 -0.295 . . . . 0.0 110.203 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 30.4 mt -83.2 127.98 39.19 Favored 'Isoleucine or valine' 0 C--O 1.235 0.308 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 179.037 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 24.9 m -95.13 155.51 16.7 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 116.541 -0.299 . . . . 0.0 110.675 -179.335 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -51.62 -41.88 61.6 Favored 'General case' 0 C--N 1.331 -0.199 0 C-N-CA 120.251 -0.579 . . . . 0.0 110.076 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 79.3 p -60.05 -37.89 81.16 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 120.663 -0.415 . . . . 0.0 110.661 179.673 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 80.3 mt-10 -68.31 -39.05 82.13 Favored 'General case' 0 N--CA 1.448 -0.538 0 C-N-CA 120.448 -0.501 . . . . 0.0 110.463 179.401 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 30.8 tp -62.84 -42.54 99.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.1 0.476 . . . . 0.0 110.134 179.11 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 84.9 mtp180 -60.22 -45.35 93.51 Favored 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 120.211 -0.596 . . . . 0.0 109.861 179.787 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 11.7 t-160 -57.56 -42.64 83.42 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.481 -0.487 . . . . 0.0 109.783 179.436 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 63.2 t -62.94 -45.49 98.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 C-N-CA 120.578 -0.449 . . . . 0.0 110.183 179.023 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' MET . . . . . 0.402 ' O ' ' O ' ' A' ' 114' ' ' GLU . 19.4 mmt -60.33 -42.68 96.16 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.549 -0.46 . . . . 0.0 110.157 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 95.7 mt -63.4 -44.03 98.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 179.038 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 26.2 t-20 -62.5 -35.14 78.43 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.698 -0.401 . . . . 0.0 110.074 179.544 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 49.4 mt -72.52 -5.04 34.24 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.864 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 85.37 17.6 62.11 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 110.888 -0.885 . . . . 0.0 110.888 179.754 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . 0.402 ' O ' ' O ' ' A' ' 109' ' ' MET . 97.2 mt-10 -126.9 143.21 51.34 Favored 'General case' 0 N--CA 1.467 0.381 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 179.655 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 18.6 ptmt -139.69 121.36 15.31 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-O 120.76 0.314 . . . . 0.0 110.182 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 48.2 mt -110.15 157.22 19.62 Favored 'General case' 0 N--CA 1.465 0.283 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 8.4 p -69.33 167.05 17.25 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.144 -0.623 . . . . 0.0 109.551 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 97.0 m-20 -62.57 -41.9 99.22 Favored 'General case' 0 C--N 1.332 -0.194 0 C-N-CA 120.417 -0.513 . . . . 0.0 110.777 -179.823 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 -54.58 -37.67 65.79 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.712 -0.395 . . . . 0.0 110.641 179.771 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 -73.04 -48.48 35.72 Favored 'General case' 0 N--CA 1.449 -0.491 0 C-N-CA 120.439 -0.504 . . . . 0.0 110.168 179.021 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 90.6 t -62.72 -47.63 91.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 C-N-CA 120.44 -0.504 . . . . 0.0 109.984 179.743 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -57.96 -36.89 73.21 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.511 -0.476 . . . . 0.0 110.342 179.601 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 83.5 mt-30 -71.6 -36.54 70.86 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.643 -0.423 . . . . 0.0 110.698 179.126 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 26.3 tpp -64.24 -44.68 91.06 Favored 'General case' 0 N--CA 1.448 -0.557 0 C-N-CA 120.788 -0.365 . . . . 0.0 110.302 -179.793 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 12.1 mm -62.57 -48.6 87.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 C-N-CA 120.527 -0.469 . . . . 0.0 110.001 179.279 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -63.33 -43.7 97.01 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.75 179.456 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 81.8 tt0 -68.85 -37.51 79.16 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.915 179.585 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -76.14 -29.59 57.84 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.972 -179.611 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 88.7 m-20 -76.34 118.73 19.33 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 120.403 -0.519 . . . . 0.0 111.37 -178.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 46.6 tp -74.9 -26.34 59.58 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.245 179.675 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . 0.432 ' O ' ' C ' ' A' ' 132' ' ' GLY . 43.7 p-10 -114.35 19.86 15.93 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 121.014 -0.274 . . . . 0.0 111.389 -179.219 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . 0.432 ' C ' ' O ' ' A' ' 131' ' ' ASP . . . 39.65 39.17 1.21 Allowed Glycine 0 CA--C 1.531 1.091 0 C-N-CA 120.28 -0.962 . . . . 0.0 111.369 -179.899 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . 0.556 ' OD1' ' N ' ' A' ' 134' ' ' GLY . 43.8 p-10 -76.91 -18.04 58.55 Favored 'General case' 0 CA--C 1.528 0.098 0 CA-C-N 117.132 0.466 . . . . 0.0 110.312 179.701 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . 0.556 ' N ' ' OD1' ' A' ' 133' ' ' ASP . . . 96.24 -10.29 67.48 Favored Glycine 0 C--N 1.33 0.2 0 N-CA-C 110.269 -1.132 . . . . 0.0 110.269 179.873 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . 0.51 ' N ' ' OD1' ' A' ' 133' ' ' ASP . 17.2 mt-30 -117.84 132.76 56.4 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-O 120.566 0.222 . . . . 0.0 110.403 -179.063 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 98.8 t -82.58 118.51 30.41 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.278 0 N-CA-C 108.671 -0.862 . . . . 0.0 108.671 178.603 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . 0.402 ' ND2' ' CE2' ' A' ' 99' ' ' TYR . 17.9 t-20 -95.79 170.13 9.53 Favored 'General case' 0 N--CA 1.47 0.571 0 N-CA-C 110.019 -0.363 . . . . 0.0 110.019 179.818 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 60.9 t80 -53.14 -46.15 68.7 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.694 -0.402 . . . . 0.0 110.977 -178.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . 0.432 ' O ' HG12 ' A' ' 142' ' ' VAL . 42.9 tt0 -56.55 -45.73 81.07 Favored 'General case' 0 CA--C 1.517 -0.302 0 C-N-CA 120.688 -0.405 . . . . 0.0 111.177 -179.42 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -69.54 -37.23 76.98 Favored 'General case' 0 C--N 1.313 -1.022 0 C-N-CA 119.993 -0.683 . . . . 0.0 110.111 179.383 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . 0.427 ' O ' ' N ' ' A' ' 145' ' ' MET . 33.5 t80 -63.5 -56.41 16.29 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 119.998 -0.681 . . . . 0.0 109.777 -179.512 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . 0.432 HG12 ' O ' ' A' ' 139' ' ' GLU . 11.7 p -57.72 -41.98 80.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-O 121.313 0.578 . . . . 0.0 109.971 -179.528 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 143' ' ' LYS . . . . . 0.412 ' N ' ' CG1' ' A' ' 142' ' ' VAL . 88.7 tttt -63.1 -50.53 70.17 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.564 -0.743 . . . . 0.0 109.688 178.905 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 47.6 ttp -62.96 -38.71 92.17 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.096 -0.705 . . . . 0.0 109.096 178.717 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 145' ' ' MET . . . . . 0.427 ' N ' ' O ' ' A' ' 141' ' ' PHE . 56.3 tpp -62.7 -41.02 98.91 Favored 'General case' 0 N--CA 1.443 -0.781 0 CA-C-N 115.367 -0.833 . . . . 0.0 109.573 -179.615 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 3.1 mmt -62.4 -37.89 87.5 Favored 'General case' 0 N--CA 1.452 -0.351 0 N-CA-C 109.896 -0.409 . . . . 0.0 109.896 179.53 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 9.8 m . . . . . 0 C--N 1.331 -0.211 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.583 -179.706 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 . . . . . 0 N--CA 1.456 -0.127 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 -47.14 -37.67 10.33 Favored 'General case' 0 C--N 1.328 -0.326 0 C-N-CA 120.699 -0.4 . . . . 0.0 110.542 -179.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 57.7 tp -62.24 -44.83 95.66 Favored 'General case' 0 C--N 1.332 -0.18 0 C-N-CA 120.365 -0.534 . . . . 0.0 110.223 179.702 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 27.8 tptp -62.86 -37.11 85.58 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 120.455 -0.498 . . . . 0.0 110.264 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 80.3 tt0 -67.38 -52.2 42.88 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 120.563 -0.455 . . . . 0.0 110.091 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -53.27 -43.84 67.76 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 120.553 -0.459 . . . . 0.0 109.808 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 75.6 t80 -56.84 -45.31 82.45 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.981 -0.377 . . . . 0.0 109.981 179.435 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 53.5 mtpt -63.32 -31.26 72.36 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.869 -0.333 . . . . 0.0 110.865 179.217 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 62.1 t -83.2 -24.17 8.2 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 C-N-CA 120.853 -0.339 . . . . 0.0 110.648 179.512 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -69.5 -34.82 74.86 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.7 -0.4 . . . . 0.0 110.829 179.569 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.536 ' OD2' ' N ' ' A' ' 98' ' ' GLY . 39.0 t0 -74.87 83.67 2.18 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 120.455 -0.498 . . . . 0.0 111.193 -178.542 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 64.2 tttp -55.48 -49.42 72.57 Favored 'General case' 0 C--N 1.333 -0.133 0 N-CA-C 109.545 -0.539 . . . . 0.0 109.545 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . 0.429 ' OD2' ' OE2' ' A' ' 104' ' ' GLU . 9.7 m-20 -71.19 -6.7 41.54 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.986 0.422 . . . . 0.0 109.934 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 89.3 mt-30 49.11 33.65 5.08 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.191 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . 0.68 ' ND2' ' H ' ' A' ' 99' ' ' TYR . 0.1 OUTLIER -88.49 -0.1 56.86 Favored 'General case' 0 N--CA 1.463 0.2 0 C-N-CA 120.969 -0.293 . . . . 0.0 111.416 -179.397 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . 0.536 ' N ' ' OD2' ' A' ' 93' ' ' ASP . . . 89.71 -4.32 83.58 Favored Glycine 0 CA--C 1.526 0.769 0 N-CA-C 111.427 -0.669 . . . . 0.0 111.427 179.649 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.68 ' H ' ' ND2' ' A' ' 97' ' ' ASN . 57.9 m-85 -131.17 137.23 48.89 Favored 'General case' 0 N--CA 1.466 0.344 0 O-C-N 122.81 -0.229 . . . . 0.0 110.443 -179.779 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 6.9 mt -86.22 127.88 39.88 Favored 'Isoleucine or valine' 0 C--O 1.237 0.421 0 N-CA-C 108.859 -0.793 . . . . 0.0 108.859 178.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' SER . . . . . 0.431 ' CB ' HE22 ' A' ' 135' ' ' GLN . 15.2 m -99.38 155.23 17.64 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.539 -179.475 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -52.96 -41.37 64.46 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.289 -0.564 . . . . 0.0 110.079 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 67.0 m -60.17 -42.52 95.14 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 120.795 -0.362 . . . . 0.0 110.768 179.437 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.429 ' OE2' ' OD2' ' A' ' 95' ' ' ASP . 90.4 mt-10 -64.56 -37.95 89.32 Favored 'General case' 0 N--CA 1.442 -0.832 0 C-N-CA 120.653 -0.419 . . . . 0.0 110.199 179.669 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.89 -41.18 97.79 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-O 121.352 0.596 . . . . 0.0 109.942 179.735 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 95.3 mtm-85 -61.37 -45.72 93.2 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 120.371 -0.532 . . . . 0.0 110.127 -179.773 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 10.8 t-80 -57.89 -42.95 85.71 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.57 -0.452 . . . . 0.0 109.787 179.436 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 81.5 t -61.64 -45.93 97.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 C-N-CA 120.646 -0.422 . . . . 0.0 110.058 179.269 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' MET . . . . . 0.453 ' O ' ' O ' ' A' ' 114' ' ' GLU . 36.7 mtt -57.67 -40.65 79.84 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.624 -0.43 . . . . 0.0 110.072 -179.761 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 97.1 mt -65.25 -43.2 95.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 C-N-CA 120.539 -0.464 . . . . 0.0 110.091 178.849 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 -62.16 -36.82 83.01 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.371 179.721 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 8.9 mp -75.47 -1.09 22.52 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.079 179.694 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 79.66 15.48 79.44 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 179.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . 0.453 ' O ' ' O ' ' A' ' 109' ' ' MET . 97.0 mt-10 -116.46 137.78 51.9 Favored 'General case' 0 N--CA 1.466 0.352 0 N-CA-C 109.875 -0.417 . . . . 0.0 109.875 179.672 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.18 111.48 7.51 Favored 'General case' 0 N--CA 1.47 0.525 0 N-CA-C 109.725 -0.472 . . . . 0.0 109.725 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 6.2 mp -105.97 168.19 9.29 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 179.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 9.7 p -73.56 161.53 30.24 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.224 -0.59 . . . . 0.0 109.482 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 93.7 m-20 -62.01 -40.41 95.58 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.392 -0.523 . . . . 0.0 110.567 -179.659 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -56.27 -34.96 66.92 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 120.627 -0.429 . . . . 0.0 110.672 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 -73.85 -49.11 26.61 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 120.412 -0.515 . . . . 0.0 110.361 179.131 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 98.6 t -64.41 -44.52 97.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 C-N-CA 120.694 -0.402 . . . . 0.0 110.166 179.527 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -65.42 -41.45 93.55 Favored 'General case' 0 CA--C 1.516 -0.336 0 C-N-CA 120.889 -0.324 . . . . 0.0 110.34 179.392 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 56.8 tt0 -66.39 -43.05 86.95 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.614 -0.434 . . . . 0.0 110.578 179.262 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 124' ' ' MET . . . . . 0.406 ' O ' ' N ' ' A' ' 128' ' ' ALA . 64.6 ttp -66.48 -41.19 89.33 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-O 120.91 0.386 . . . . 0.0 110.22 179.19 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 3.0 mm -61.24 -63.92 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 C-N-CA 120.311 -0.556 . . . . 0.0 109.787 179.762 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 16.9 ptmt -53.12 -37.59 61.9 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.627 -178.786 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 82.2 tt0 -73.38 -34.67 65.69 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.688 179.781 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . 0.406 ' N ' ' O ' ' A' ' 124' ' ' MET . . . -69.03 -32.26 71.64 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.791 -0.641 . . . . 0.0 111.143 -179.462 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . 0.56 ' OD2' ' N ' ' A' ' 133' ' ' ASP . 35.0 t70 -75.4 121.95 23.04 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.141 0.496 . . . . 0.0 111.788 -179.055 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 10.2 tp -86.52 -24.81 25.39 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.623 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . 0.44 ' OD1' ' OD2' ' A' ' 129' ' ' ASP . 27.4 p30 -98.68 12.09 36.51 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 111.725 0.268 . . . . 0.0 111.725 -178.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . 0.549 ' N ' ' OD2' ' A' ' 129' ' ' ASP . . . 45.69 23.7 1.01 Allowed Glycine 0 CA--C 1.53 0.999 0 C-N-CA 120.378 -0.915 . . . . 0.0 111.258 179.728 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . 0.56 ' N ' ' OD2' ' A' ' 129' ' ' ASP . 45.2 p-10 -71.68 -16.59 62.25 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 117.043 0.421 . . . . 0.0 110.373 179.636 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . 0.453 ' N ' ' OD1' ' A' ' 133' ' ' ASP . . . 94.55 -5.33 70.22 Favored Glycine 0 N--CA 1.459 0.193 0 N-CA-C 110.205 -1.158 . . . . 0.0 110.205 179.644 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . 0.431 HE22 ' CB ' ' A' ' 101' ' ' SER . 60.8 mm-40 -122.69 142.68 50.43 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-O 120.857 0.36 . . . . 0.0 110.69 -178.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 24.3 t -87.07 115.63 28.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 N-CA-C 108.434 -0.95 . . . . 0.0 108.434 178.512 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 42.3 t30 -91.95 169.68 10.47 Favored 'General case' 0 N--CA 1.467 0.407 0 N-CA-C 110.176 -0.305 . . . . 0.0 110.176 179.359 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 89.1 t80 -50.4 -49.1 55.54 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.724 -0.39 . . . . 0.0 111.112 -178.764 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . 0.429 ' CG ' ' N ' ' A' ' 140' ' ' GLU . 10.5 pt-20 -58.27 -42.04 85.64 Favored 'General case' 0 N--CA 1.456 -0.172 0 CA-C-O 121.034 0.445 . . . . 0.0 110.797 -179.335 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . 0.429 ' N ' ' CG ' ' A' ' 139' ' ' GLU . 57.5 mt-10 -70.55 -38.96 74.24 Favored 'General case' 0 C--N 1.321 -0.651 0 C-N-CA 120.07 -0.652 . . . . 0.0 109.553 179.648 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 74.0 t80 -61.95 -55.5 28.82 Favored 'General case' 0 N--CA 1.455 -0.192 0 C-N-CA 120.051 -0.659 . . . . 0.0 110.307 -179.854 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 14.5 p -58.51 -41.26 81.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 -179.756 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 28.5 tptp -61.78 -49.73 75.2 Favored 'General case' 0 N--CA 1.446 -0.648 0 CA-C-N 115.925 -0.58 . . . . 0.0 109.901 179.217 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 8.1 tmm? -61.67 -37.09 82.82 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.068 -0.716 . . . . 0.0 109.068 178.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 45.5 tpp -64.73 -38.74 92.02 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.021 -0.99 . . . . 0.0 109.555 -179.732 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 75.6 mmm -64.12 -39.69 94.57 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.938 -0.393 . . . . 0.0 109.938 179.47 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 40.7 m . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.471 179.932 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 . . . . . 0 C--O 1.232 0.171 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 46.8 tp10 -44.68 -42.22 7.37 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.577 -0.449 . . . . 0.0 110.443 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 19.6 mt -62.94 -44.36 96.29 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.299 -0.56 . . . . 0.0 110.475 179.699 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -63.05 -41.5 99.49 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 120.329 -0.548 . . . . 0.0 109.925 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -65.1 -53.89 38.44 Favored 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 120.493 -0.483 . . . . 0.0 109.878 179.75 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -53.4 -47.33 69.63 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 120.434 -0.506 . . . . 0.0 109.73 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 42.7 t80 -56.62 -43.65 80.39 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.808 -0.441 . . . . 0.0 109.808 179.306 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 89.0 tttt -60.96 -33.09 72.66 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 120.742 -0.383 . . . . 0.0 110.577 179.777 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 69.5 t -69.74 -47.78 68.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 C-N-CA 120.407 -0.517 . . . . 0.0 110.962 179.457 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -63.16 -34.01 76.69 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.397 -0.521 . . . . 0.0 110.251 179.851 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.54 ' OD1' ' ND2' ' A' ' 97' ' ' ASN . 41.4 t0 -73.85 59.44 0.68 Allowed 'General case' 0 C--N 1.324 -0.5 0 C-N-CA 120.527 -0.469 . . . . 0.0 110.738 -179.284 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 67.7 mmtt -46.84 -44.74 19.66 Favored 'General case' 0 C--N 1.333 -0.135 0 C-N-CA 120.232 -0.587 . . . . 0.0 110.344 -179.631 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . 0.423 ' OD2' ' OE2' ' A' ' 104' ' ' GLU . 6.4 m-20 -71.92 -6.98 45.88 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 120.84 -0.344 . . . . 0.0 110.161 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . 0.525 ' N ' ' O ' ' A' ' 93' ' ' ASP . 77.4 mt-30 48.65 34.82 5.4 Favored 'General case' 0 C--N 1.322 -0.595 0 C-N-CA 120.55 -0.46 . . . . 0.0 110.223 -179.801 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . 0.709 ' ND2' ' H ' ' A' ' 99' ' ' TYR . 0.1 OUTLIER -90.46 2.78 55.34 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 120.74 -0.384 . . . . 0.0 111.215 -179.313 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . 0.553 ' N ' HD21 ' A' ' 97' ' ' ASN . . . 87.64 -8.87 75.96 Favored Glycine 0 CA--C 1.524 0.654 0 C-N-CA 120.8 -0.714 . . . . 0.0 111.418 179.593 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.709 ' H ' ' ND2' ' A' ' 97' ' ' ASN . 67.0 m-85 -130.97 135.8 47.96 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 116.673 0.236 . . . . 0.0 110.391 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 20.2 mt -83.44 127.51 39.67 Favored 'Isoleucine or valine' 0 C--O 1.235 0.303 0 N-CA-C 108.86 -0.793 . . . . 0.0 108.86 179.195 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 17.2 m -91.63 157.21 17.1 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.628 -179.315 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -52.15 -42.66 63.56 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 120.257 -0.577 . . . . 0.0 110.091 179.685 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 44.8 t -59.32 -40.21 85.56 Favored 'General case' 0 C--O 1.238 0.478 0 CA-C-O 120.909 0.385 . . . . 0.0 110.531 179.582 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.423 ' OE2' ' OD2' ' A' ' 95' ' ' ASP . 94.3 mt-10 -68.0 -38.56 82.8 Favored 'General case' 0 N--CA 1.448 -0.565 0 O-C-N 121.812 -0.555 . . . . 0.0 110.406 179.069 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.548 ' CD1' ' SD ' ' A' ' 109' ' ' MET . 0.2 OUTLIER -59.55 -40.77 88.35 Favored 'General case' 0 CA--C 1.537 0.458 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 179.642 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 84.2 mtp180 -63.12 -42.44 99.54 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.6 -0.519 . . . . 0.0 109.6 179.48 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 11.1 t-80 -55.33 -32.41 62.48 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 109.57 -0.53 . . . . 0.0 109.57 179.15 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 94.5 t -74.09 -44.09 50.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 C-N-CA 120.507 -0.477 . . . . 0.0 110.387 178.597 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' MET . . . . . 0.567 ' SD ' ' N ' ' A' ' 109' ' ' MET . 0.0 OUTLIER -62.28 -48.14 81.2 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.291 -0.564 . . . . 0.0 111.296 -179.684 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . 0.429 ' CD1' ' N ' ' A' ' 111' ' ' ASN . 2.7 pp -65.76 -42.92 93.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 C-N-CA 120.385 -0.526 . . . . 0.0 109.904 179.268 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . 0.429 ' N ' ' CD1' ' A' ' 110' ' ' ILE . 20.5 t30 -58.8 -33.89 70.87 Favored 'General case' 0 C--N 1.332 -0.157 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 179.881 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 7.2 mp -80.18 -1.34 39.98 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.984 179.161 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 83.35 21.33 58.73 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -119.96 136.57 54.48 Favored 'General case' 0 N--CA 1.466 0.359 0 N-CA-C 109.634 -0.506 . . . . 0.0 109.634 179.743 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 31.4 pttt -130.22 112.81 13.71 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-O 120.634 0.254 . . . . 0.0 110.349 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 65.0 mt -109.18 155.25 21.27 Favored 'General case' 0 N--CA 1.466 0.334 0 N-CA-C 109.56 -0.533 . . . . 0.0 109.56 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 12.8 m -64.32 160.47 18.79 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.203 -0.599 . . . . 0.0 109.538 -179.763 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 41.8 t0 -62.47 -35.55 79.68 Favored 'General case' 0 C--O 1.234 0.261 0 C-N-CA 120.475 -0.49 . . . . 0.0 110.467 -179.738 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -64.35 -34.61 78.55 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.688 -0.405 . . . . 0.0 110.646 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -71.26 -45.53 62.97 Favored 'General case' 0 N--CA 1.451 -0.411 0 C-N-CA 120.463 -0.495 . . . . 0.0 110.01 179.272 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 70.5 t -63.25 -49.22 83.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 C-N-CA 120.42 -0.512 . . . . 0.0 110.143 179.706 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -56.37 -36.68 69.11 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.621 -0.432 . . . . 0.0 110.215 179.447 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 59.1 tt0 -67.18 -38.46 85.44 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.569 -0.453 . . . . 0.0 110.472 179.359 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 93.9 mtp -64.35 -41.95 96.49 Favored 'General case' 0 N--CA 1.449 -0.513 0 C-N-CA 120.73 -0.388 . . . . 0.0 110.373 179.83 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 7.3 mm -62.73 -48.85 86.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 N-CA-C 109.761 -0.459 . . . . 0.0 109.761 179.213 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -63.42 -44.52 94.37 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.619 179.611 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 78.4 tt0 -68.07 -37.66 81.53 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.961 179.705 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -75.45 -31.0 60.15 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.21 -179.664 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . 0.423 ' OD2' ' OD1' ' A' ' 133' ' ' ASP . 2.1 m-20 -77.48 122.77 25.67 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 120.437 -0.505 . . . . 0.0 111.231 -178.607 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 5.8 tt -80.3 -24.17 40.17 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.488 179.82 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . 0.41 ' O ' ' C ' ' A' ' 132' ' ' GLY . 36.4 p30 -111.36 18.15 19.49 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 121.083 -0.247 . . . . 0.0 111.465 -179.086 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . 0.41 ' C ' ' O ' ' A' ' 131' ' ' ASP . . . 40.17 34.78 0.64 Allowed Glycine 0 CA--C 1.531 1.08 0 C-N-CA 120.306 -0.95 . . . . 0.0 111.464 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . 0.553 ' OD1' ' N ' ' A' ' 134' ' ' GLY . 51.2 p-10 -76.45 -18.16 58.93 Favored 'General case' 0 N--CA 1.461 0.123 0 C-N-CA 120.54 -0.464 . . . . 0.0 110.262 179.844 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . 0.553 ' N ' ' OD1' ' A' ' 133' ' ' ASP . . . 96.35 -10.52 67.27 Favored Glycine 0 C--N 1.331 0.263 0 N-CA-C 110.259 -1.136 . . . . 0.0 110.259 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . 0.478 ' N ' ' OD1' ' A' ' 133' ' ' ASP . 12.4 mt-30 -114.88 130.99 57.0 Favored 'General case' 0 N--CA 1.449 -0.516 0 N-CA-C 110.554 -0.165 . . . . 0.0 110.554 -178.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 94.7 t -79.92 121.15 32.71 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.254 0 N-CA-C 108.493 -0.929 . . . . 0.0 108.493 178.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . 0.442 ' OD1' ' CE2' ' A' ' 99' ' ' TYR . 57.7 t30 -96.31 164.36 12.68 Favored 'General case' 0 N--CA 1.471 0.625 0 N-CA-C 110.094 -0.336 . . . . 0.0 110.094 -179.864 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 88.0 t80 -46.29 -50.68 15.84 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 120.604 -0.438 . . . . 0.0 111.009 -178.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 82.6 tt0 -58.81 -43.61 90.61 Favored 'General case' 0 CA--C 1.516 -0.357 0 C-N-CA 120.637 -0.425 . . . . 0.0 111.397 -179.172 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -65.37 -42.12 93.09 Favored 'General case' 0 C--N 1.317 -0.812 0 C-N-CA 119.981 -0.688 . . . . 0.0 110.28 179.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . 0.417 ' O ' ' N ' ' A' ' 145' ' ' MET . 49.8 t80 -62.3 -50.33 72.08 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.276 -0.638 . . . . 0.0 109.276 179.333 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . 0.405 ' O ' ' N ' ' A' ' 146' ' ' MET . 47.7 t -58.85 -45.76 91.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.547 179.648 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 62.7 tttp -61.54 -49.53 76.31 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.782 -0.645 . . . . 0.0 109.83 179.404 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 13.2 tmm? -63.11 -41.07 99.28 Favored 'General case' 0 CA--C 1.51 -0.596 0 CA-C-O 121.549 0.69 . . . . 0.0 109.606 178.696 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 145' ' ' MET . . . . . 0.417 ' N ' ' O ' ' A' ' 141' ' ' PHE . 36.1 ttm -69.2 -41.22 77.4 Favored 'General case' 0 N--CA 1.445 -0.709 0 CA-C-N 115.256 -0.884 . . . . 0.0 110.274 -179.79 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 146' ' ' MET . . . . . 0.405 ' N ' ' O ' ' A' ' 142' ' ' VAL . 15.6 mmt -64.88 -39.2 93.17 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.08 179.471 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 33.4 m . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.275 -179.546 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.468 ' N ' ' OE1' ' A' ' 83' ' ' GLU . 57.0 mp0 . . . . . 0 C--O 1.231 0.112 0 N-CA-C 109.083 -0.71 . . . . 0.0 109.083 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -42.85 -46.42 5.27 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.559 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 74.0 mt -61.53 -43.7 98.38 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 120.525 -0.47 . . . . 0.0 110.449 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 36.5 mmtm -63.94 -44.18 93.62 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.331 -0.548 . . . . 0.0 110.446 179.09 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 84.9 tt0 -68.36 -50.44 53.19 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.639 -0.424 . . . . 0.0 110.208 179.57 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -55.48 -48.02 75.22 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.24 -0.437 . . . . 0.0 109.976 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.424 ' CD1' ' C ' ' A' ' 89' ' ' PHE . 29.9 t80 -57.7 -42.34 83.51 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.28 -0.418 . . . . 0.0 109.932 179.547 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 14.3 tptm -61.51 -32.35 72.38 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.805 -179.669 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 77.7 t -68.71 -45.53 81.1 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.299 0 C-N-CA 120.69 -0.404 . . . . 0.0 110.681 179.237 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -66.92 -33.18 75.02 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.494 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 43.9 t0 -73.74 59.62 0.67 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.432 -179.441 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 56.1 mtpt -51.83 -45.64 64.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 109.865 -179.014 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -68.81 -10.25 55.71 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.975 0.417 . . . . 0.0 110.007 -179.495 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 52.54 28.21 5.8 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.506 -179.724 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 37.0 p-10 -86.72 5.25 37.17 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.315 -179.097 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 80.17 -3.92 69.47 Favored Glycine 0 CA--C 1.527 0.788 0 N-CA-C 111.462 -0.655 . . . . 0.0 111.462 179.402 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 38.6 m-85 -131.44 135.56 47.24 Favored 'General case' 0 N--CA 1.468 0.46 0 N-CA-C 110.424 -0.213 . . . . 0.0 110.424 -179.839 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 43.8 mt -84.77 128.9 38.53 Favored 'Isoleucine or valine' 0 C--O 1.237 0.397 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 178.589 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 36.4 t -98.21 159.33 15.01 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.616 -179.175 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -51.84 -41.39 61.78 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.504 -0.478 . . . . 0.0 109.726 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 70.2 m -56.75 -40.72 76.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.015 0.436 . . . . 0.0 110.384 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 92.0 mt-10 -71.84 -38.33 70.16 Favored 'General case' 0 N--CA 1.441 -0.881 0 CA-C-O 120.719 0.295 . . . . 0.0 110.868 179.19 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.34 -44.5 95.46 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 120.987 0.422 . . . . 0.0 110.38 -178.872 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 9.0 ptm180 -69.67 -39.67 76.86 Favored 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 120.312 -0.555 . . . . 0.0 109.84 179.368 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 14.2 t-80 -57.35 -42.76 82.6 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 109.665 -0.495 . . . . 0.0 109.665 179.81 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 57.2 t -65.43 -43.85 94.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.063 179.1 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 11.7 mmt -60.36 -41.98 94.82 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.539 -0.465 . . . . 0.0 110.311 -179.496 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 96.5 mt -65.07 -43.56 95.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.943 0.401 . . . . 0.0 109.99 179.238 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 22.9 t30 -59.95 -33.27 71.7 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.282 179.763 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -83.19 -1.83 53.98 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.063 179.73 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 86.47 20.16 55.11 Favored Glycine 0 N--CA 1.464 0.505 0 N-CA-C 111.109 -0.796 . . . . 0.0 111.109 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 -117.6 130.98 56.73 Favored 'General case' 0 N--CA 1.465 0.294 0 N-CA-C 109.754 -0.462 . . . . 0.0 109.754 179.508 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 8.9 ptmm? -136.38 116.29 13.2 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-O 120.989 0.423 . . . . 0.0 110.624 -179.627 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 1.6 mp -113.79 162.02 16.82 Favored 'General case' 0 N--CA 1.464 0.274 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 24.6 p -70.24 167.29 18.26 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.2 -0.6 . . . . 0.0 109.489 -179.758 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 91.4 m-20 -62.74 -38.93 92.48 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.615 -0.434 . . . . 0.0 110.447 -179.412 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . 0.451 ' OE1' ' N ' ' A' ' 119' ' ' GLU . 58.5 mp0 -63.87 -34.77 78.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.678 179.836 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 65.8 mt-10 -70.82 -47.25 60.46 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.292 179.014 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 87.7 t -64.33 -47.18 90.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 N-CA-C 109.987 -0.375 . . . . 0.0 109.987 179.656 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 80.8 tt0 -57.59 -37.2 72.82 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.784 -0.45 . . . . 0.0 109.784 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 57.2 tt0 -65.21 -42.23 93.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.243 179.432 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 80.2 mmm -65.88 -42.72 89.95 Favored 'General case' 0 N--CA 1.448 -0.571 0 CA-C-O 120.687 0.279 . . . . 0.0 110.722 179.837 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 36.9 mm -63.87 -45.26 97.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 179.804 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 38.4 mmtm -66.66 -42.64 86.3 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.366 -0.834 . . . . 0.0 110.864 179.549 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 80.4 tt0 -70.35 -36.41 74.18 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.839 -179.787 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -77.44 -29.18 52.77 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.349 -179.031 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . 0.437 ' OD1' ' OD1' ' A' ' 133' ' ' ASP . 41.5 t0 -71.35 105.44 3.51 Favored 'General case' 0 CA--C 1.507 -0.683 0 CA-C-O 121.322 0.582 . . . . 0.0 112.058 -179.121 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . 0.522 ' H ' ' CD ' ' A' ' 140' ' ' GLU . 50.9 tp -87.35 -29.14 21.76 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 115.14 -0.936 . . . . 0.0 111.574 179.222 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 36.8 m-20 -79.6 -11.35 59.88 Favored 'General case' 0 N--CA 1.464 0.23 0 C-N-CA 120.887 -0.325 . . . . 0.0 111.668 -178.497 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 70.0 22.31 77.11 Favored Glycine 0 CA--C 1.529 0.933 0 C-N-CA 120.724 -0.751 . . . . 0.0 111.348 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . 0.509 ' O ' ' NE2' ' A' ' 135' ' ' GLN . 38.8 p-10 -89.46 -15.0 34.09 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-N 116.941 0.371 . . . . 0.0 110.555 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 89.37 5.6 72.19 Favored Glycine 0 N--CA 1.46 0.236 0 N-CA-C 110.144 -1.182 . . . . 0.0 110.144 179.402 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . 0.509 ' NE2' ' O ' ' A' ' 133' ' ' ASP . 3.2 mp0 -123.16 144.62 49.23 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-N 115.48 -0.36 . . . . 0.0 110.629 -178.76 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 49.0 t -92.16 109.99 22.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 N-CA-C 108.778 -0.823 . . . . 0.0 108.778 178.689 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . 0.468 ' CG ' ' H ' ' A' ' 138' ' ' TYR . 26.7 t-20 -93.67 175.62 6.67 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 109.975 -0.38 . . . . 0.0 109.975 179.564 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . 0.468 ' H ' ' CG ' ' A' ' 137' ' ' ASN . 76.2 t80 -53.81 -43.21 69.17 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.828 -178.824 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 80.0 tt0 -61.68 -46.59 89.07 Favored 'General case' 0 C--O 1.226 -0.182 0 C-N-CA 120.913 -0.315 . . . . 0.0 110.868 -179.399 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . 0.522 ' CD ' ' H ' ' A' ' 130' ' ' LEU . 65.3 mt-10 -70.63 -37.66 73.82 Favored 'General case' 0 C--N 1.321 -0.635 0 C-N-CA 119.825 -0.75 . . . . 0.0 109.873 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 50.6 t80 -63.79 -54.08 40.84 Favored 'General case' 0 C--O 1.232 0.14 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.601 179.711 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . 0.43 ' CG1' ' N ' ' A' ' 143' ' ' LYS . 7.0 p -61.01 -43.7 96.67 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.151 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 -179.132 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 143' ' ' LYS . . . . . 0.43 ' N ' ' CG1' ' A' ' 142' ' ' VAL . 66.5 tttm -60.47 -50.44 73.55 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.938 179.335 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 15.0 tmm? -62.87 -37.79 88.29 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.56 0.695 . . . . 0.0 109.567 179.174 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 43.1 tpp -64.59 -39.94 94.62 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 114.905 -1.043 . . . . 0.0 109.575 179.61 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 88.5 mtp -63.29 -35.15 79.41 Favored 'General case' 0 CA--C 1.52 -0.187 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 179.701 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 25.6 m . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.576 179.72 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 80.8 tt0 . . . . . 0 N--CA 1.457 -0.113 0 N-CA-C 108.688 -0.856 . . . . 0.0 108.688 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 83.1 tt0 -45.98 -46.77 16.55 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.063 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 66.7 mt -62.01 -44.68 96.2 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 120.313 -0.555 . . . . 0.0 110.478 179.338 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 89.0 tttt -65.03 -44.36 89.37 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.566 -0.454 . . . . 0.0 110.198 179.356 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 9.4 tm-20 -68.51 -52.6 30.41 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.533 -0.467 . . . . 0.0 110.242 179.645 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -52.18 -42.81 63.76 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 70.8 t80 -58.95 -43.55 91.26 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 109.897 -0.409 . . . . 0.0 109.897 179.094 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -60.4 -32.35 71.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.532 -0.304 . . . . 0.0 110.499 179.689 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 80.7 t -72.32 -41.88 65.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-O 120.897 0.38 . . . . 0.0 110.656 179.07 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -61.52 -35.1 76.77 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.848 -0.341 . . . . 0.0 110.359 -179.479 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.514 ' OD2' ' N ' ' A' ' 98' ' ' GLY . 38.8 t0 -72.75 70.99 0.99 Allowed 'General case' 0 C--N 1.323 -0.545 0 C-N-CA 120.503 -0.479 . . . . 0.0 110.954 -178.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -51.45 -46.41 63.04 Favored 'General case' 0 C--N 1.332 -0.17 0 C-N-CA 120.463 -0.495 . . . . 0.0 109.707 -179.357 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . 0.429 ' OD2' ' OE2' ' A' ' 104' ' ' GLU . 3.7 m-20 -76.99 5.53 7.85 Favored 'General case' 0 CA--C 1.513 -0.462 0 N-CA-C 110.001 -0.37 . . . . 0.0 110.001 -179.833 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 12.4 pt20 37.99 32.31 0.04 OUTLIER 'General case' 0 CA--C 1.531 0.235 0 O-C-N 123.326 0.391 . . . . 0.0 110.815 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . 0.441 ' OD1' ' OD1' ' A' ' 93' ' ' ASP . 43.7 p-10 -83.9 -5.69 59.27 Favored 'General case' 0 C--N 1.331 -0.208 0 C-N-CA 120.806 -0.358 . . . . 0.0 111.01 -178.424 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . 0.514 ' N ' ' OD2' ' A' ' 93' ' ' ASP . . . 97.91 -7.43 62.81 Favored Glycine 0 CA--C 1.528 0.868 0 N-CA-C 111.342 -0.703 . . . . 0.0 111.342 179.809 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 76.4 m-85 -134.12 138.55 45.3 Favored 'General case' 0 N--CA 1.467 0.419 0 O-C-N 122.789 -0.242 . . . . 0.0 110.418 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . 0.433 HG22 HD12 ' A' ' 100' ' ' ILE . 23.8 mt -85.54 128.83 38.82 Favored 'Isoleucine or valine' 0 C--O 1.241 0.613 0 N-CA-C 108.944 -0.761 . . . . 0.0 108.944 179.104 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 30.3 t -96.07 155.3 16.82 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.532 -179.391 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -53.11 -42.66 66.2 Favored 'General case' 0 C--N 1.331 -0.229 0 C-N-CA 120.385 -0.526 . . . . 0.0 109.949 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 51.0 m -59.27 -43.12 92.52 Favored 'General case' 0 C--N 1.332 -0.195 0 C-N-CA 120.768 -0.373 . . . . 0.0 110.424 179.711 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.429 ' OE2' ' OD2' ' A' ' 95' ' ' ASP . 89.3 mt-10 -62.81 -38.47 90.84 Favored 'General case' 0 N--CA 1.444 -0.748 0 C-N-CA 120.612 -0.435 . . . . 0.0 110.259 179.574 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.516 ' CD1' ' SD ' ' A' ' 109' ' ' MET . 0.2 OUTLIER -63.14 -41.55 99.32 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-O 121.259 0.552 . . . . 0.0 110.058 179.743 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 82.2 mtm180 -63.87 -47.92 78.77 Favored 'General case' 0 C--O 1.22 -0.487 0 C-N-CA 120.403 -0.519 . . . . 0.0 109.857 -179.756 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 46.2 t-80 -51.8 -38.87 57.4 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 179.74 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 69.7 t -63.86 -42.24 95.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 116.22 -0.446 . . . . 0.0 109.827 178.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' MET . . . . . 0.571 ' SD ' ' N ' ' A' ' 109' ' ' MET . 0.0 OUTLIER -59.47 -42.97 93.25 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.538 -0.465 . . . . 0.0 110.111 -179.876 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 13.1 mm -63.55 -47.05 93.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 N-CA-C 109.506 -0.554 . . . . 0.0 109.506 179.728 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 8.1 t-20 -58.84 -34.89 72.07 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.774 -0.454 . . . . 0.0 109.774 179.569 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 40.6 mt -77.18 -3.07 37.66 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.919 179.83 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 77.05 17.14 80.06 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 179.789 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -116.11 140.71 49.01 Favored 'General case' 0 N--CA 1.466 0.351 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 15.9 pttm -131.31 106.66 8.43 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-O 120.884 0.374 . . . . 0.0 110.028 -179.739 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . 0.504 ' N ' ' CD1' ' A' ' 116' ' ' LEU . 8.1 mp -95.61 165.95 12.08 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.7 -0.481 . . . . 0.0 109.7 179.798 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 4.2 p -70.34 152.98 43.53 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.253 -0.579 . . . . 0.0 109.552 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 93.5 m-20 -63.18 -41.71 99.26 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.515 -0.474 . . . . 0.0 110.521 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -65.03 -31.23 72.37 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.776 -0.37 . . . . 0.0 110.422 179.859 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 15.6 tp10 -69.57 -43.08 73.59 Favored 'General case' 0 N--CA 1.448 -0.552 0 C-N-CA 120.545 -0.462 . . . . 0.0 109.97 179.142 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 79.1 t -65.49 -45.03 93.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 C-N-CA 120.606 -0.438 . . . . 0.0 109.971 -179.734 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -60.38 -41.61 94.16 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.71 -0.396 . . . . 0.0 110.456 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 83.8 mt-30 -64.93 -41.69 95.32 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 120.671 -0.412 . . . . 0.0 110.685 179.19 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 34.5 ttm -64.64 -42.4 95.48 Favored 'General case' 0 N--CA 1.449 -0.506 0 C-N-CA 120.82 -0.352 . . . . 0.0 110.204 179.798 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 7.1 mm -63.87 -45.77 96.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 121.129 0.49 . . . . 0.0 109.832 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -65.5 -42.84 91.66 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.852 179.113 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 42.3 tp10 -70.27 -36.27 74.31 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.961 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -73.2 -31.08 63.97 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.296 -179.432 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . 0.446 ' OD1' ' OD1' ' A' ' 133' ' ' ASP . 33.8 t0 -69.03 107.83 3.3 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.22 0.533 . . . . 0.0 111.748 -179.126 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . 0.517 ' H ' ' CD ' ' A' ' 140' ' ' GLU . 39.5 tp -87.91 -31.74 19.29 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.589 179.806 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 39.4 m-20 -77.29 -11.51 59.84 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.925 -0.31 . . . . 0.0 111.672 -178.528 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 69.06 30.46 72.06 Favored Glycine 0 CA--C 1.526 0.764 0 C-N-CA 120.407 -0.901 . . . . 0.0 111.358 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . 0.446 ' OD1' ' OD1' ' A' ' 129' ' ' ASP . 37.9 p-10 -100.43 -13.38 18.75 Favored 'General case' 0 N--CA 1.467 0.425 0 CA-C-N 117.115 0.457 . . . . 0.0 110.537 179.79 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 90.08 -2.22 81.29 Favored Glycine 0 N--CA 1.459 0.227 0 N-CA-C 110.205 -1.158 . . . . 0.0 110.205 179.68 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 13.6 mt-30 -113.54 138.12 50.6 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.694 0.283 . . . . 0.0 110.58 -178.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 37.4 t -82.67 113.85 22.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 N-CA-C 108.256 -1.016 . . . . 0.0 108.256 178.38 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . 0.416 ' CG ' ' N ' ' A' ' 138' ' ' TYR . 22.7 t-20 -97.02 172.47 7.83 Favored 'General case' 0 N--CA 1.469 0.493 0 N-CA-C 110.116 -0.327 . . . . 0.0 110.116 179.671 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . 0.416 ' N ' ' CG ' ' A' ' 137' ' ' ASN . 88.0 t80 -49.89 -48.65 51.31 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 120.674 -0.41 . . . . 0.0 111.086 -178.686 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 80.7 tt0 -59.28 -45.25 91.73 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.784 -0.366 . . . . 0.0 111.135 -179.738 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . 0.517 ' CD ' ' H ' ' A' ' 130' ' ' LEU . 69.4 mt-10 -68.92 -40.54 78.99 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 120.22 -0.592 . . . . 0.0 110.092 179.622 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 74.7 t80 -60.56 -49.06 79.06 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.136 -0.69 . . . . 0.0 109.136 179.317 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 44.6 t -60.79 -47.28 93.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 179.175 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 65.2 tttm -61.18 -46.68 89.49 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.893 179.752 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 51.9 ttp -62.68 -40.39 96.94 Favored 'General case' 0 CA--C 1.513 -0.474 0 CA-C-O 121.572 0.701 . . . . 0.0 109.31 178.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 37.3 tpp -65.02 -36.42 84.34 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.135 -0.939 . . . . 0.0 109.987 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 70.5 mtp -63.52 -40.0 95.91 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.985 -0.376 . . . . 0.0 109.985 179.422 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 27.0 m . . . . . 0 C--N 1.33 -0.24 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.519 -179.987 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 . . . . . 0 N--CA 1.456 -0.157 0 N-CA-C 109.054 -0.721 . . . . 0.0 109.054 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -46.7 -43.56 17.97 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.645 -0.422 . . . . 0.0 110.487 -179.124 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 1.9 tt -61.48 -44.81 96.43 Favored 'General case' 0 C--N 1.333 -0.134 0 C-N-CA 120.294 -0.562 . . . . 0.0 110.557 179.715 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 34.2 ttmt -60.66 -37.13 80.54 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.345 -0.542 . . . . 0.0 110.532 179.107 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 9.0 tm-20 -68.64 -50.78 48.59 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-O 121.084 0.469 . . . . 0.0 110.265 179.57 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -52.89 -46.77 68.12 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-O 121.332 0.587 . . . . 0.0 110.128 179.572 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 46.4 t80 -56.18 -42.46 77.12 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.203 -0.453 . . . . 0.0 109.999 178.638 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.4 ttmp? -60.98 -32.07 71.64 Favored 'General case' 0 CA--C 1.53 0.187 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.478 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 91.1 t -70.18 -46.32 72.57 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.201 0 C-N-CA 120.579 -0.448 . . . . 0.0 110.484 179.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -65.5 -34.07 77.4 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.447 -0.501 . . . . 0.0 110.311 -179.745 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 32.9 t0 -69.61 59.24 0.14 Allowed 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.44 -0.504 . . . . 0.0 111.032 -179.625 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 29.1 ttpt -50.6 -47.61 58.08 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.356 -0.538 . . . . 0.0 110.084 -179.136 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . 0.43 ' OD2' ' OE2' ' A' ' 104' ' ' GLU . 4.3 m-20 -69.1 -8.62 46.98 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.159 0.504 . . . . 0.0 110.092 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 42.3 tp60 50.26 33.08 6.85 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.133 0.492 . . . . 0.0 110.088 -179.571 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 35.8 p-10 -93.57 8.61 40.1 Favored 'General case' 0 C--N 1.329 -0.312 0 O-C-N 121.949 -0.469 . . . . 0.0 111.307 -179.062 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 81.01 -7.93 58.57 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 111.293 -0.723 . . . . 0.0 111.293 179.684 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 39.8 m-85 -128.5 134.1 48.61 Favored 'General case' 0 N--CA 1.47 0.532 0 O-C-N 122.741 -0.27 . . . . 0.0 110.302 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 42.8 mt -83.92 125.72 40.19 Favored 'Isoleucine or valine' 0 C--O 1.235 0.31 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 178.765 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' SER . . . . . 0.55 ' HG ' ' N ' ' A' ' 102' ' ' ALA . 20.0 t -86.23 155.9 20.51 Favored 'General case' 0 N--CA 1.471 0.619 0 CA-C-N 116.596 -0.275 . . . . 0.0 110.456 -179.123 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . 0.55 ' N ' ' HG ' ' A' ' 101' ' ' SER . . . -52.93 -43.37 66.21 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.212 -0.595 . . . . 0.0 110.121 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' SER . . . . . 0.466 ' O ' ' CE1' ' A' ' 107' ' ' HIS . 49.7 m -58.88 -38.49 78.94 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-O 120.982 0.42 . . . . 0.0 110.446 179.388 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.43 ' OE2' ' OD2' ' A' ' 95' ' ' ASP . 93.3 mt-10 -69.14 -38.85 79.03 Favored 'General case' 0 N--CA 1.444 -0.763 0 C-N-CA 120.5 -0.48 . . . . 0.0 110.173 -179.856 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 27.6 tp -62.54 -42.73 99.72 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-O 121.358 0.599 . . . . 0.0 110.283 179.177 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 85.5 mtp180 -57.59 -46.37 84.11 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.356 -0.538 . . . . 0.0 110.28 178.861 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . 0.466 ' CE1' ' O ' ' A' ' 103' ' ' SER . 21.8 m170 -56.34 -41.01 75.39 Favored 'General case' 0 N--CA 1.456 -0.135 0 N-CA-C 109.673 -0.492 . . . . 0.0 109.673 179.608 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 82.5 t -61.78 -47.57 92.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.188 179.3 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' MET . . . . . 0.519 ' SD ' ' N ' ' A' ' 109' ' ' MET . 0.0 OUTLIER -58.9 -43.93 91.14 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.469 -0.492 . . . . 0.0 110.121 -179.884 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . 0.417 HG21 HD11 ' A' ' 110' ' ' ILE . 92.6 mt -62.65 -42.76 97.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 C-N-CA 120.436 -0.506 . . . . 0.0 109.993 179.061 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . 0.4 ' OD1' ' C ' ' A' ' 111' ' ' ASN . 19.3 t-20 -64.04 -36.93 85.61 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.092 0.472 . . . . 0.0 109.94 -179.608 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -69.15 -5.51 22.91 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.04 179.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 85.02 15.88 66.29 Favored Glycine 0 CA--C 1.526 0.745 0 N-CA-C 110.926 -0.869 . . . . 0.0 110.926 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 19.3 pt-20 -122.16 139.22 54.01 Favored 'General case' 0 N--CA 1.467 0.42 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 179.71 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 10.8 mttp -130.72 113.8 14.58 Favored 'General case' 0 N--CA 1.467 0.408 0 N-CA-C 109.961 -0.385 . . . . 0.0 109.961 -179.662 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 45.0 mt -108.22 154.99 20.96 Favored 'General case' 0 N--CA 1.464 0.271 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 179.798 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 60.7 p -67.82 165.11 18.17 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.044 -0.662 . . . . 0.0 109.572 -179.515 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -62.38 -39.84 94.51 Favored 'General case' 0 C--N 1.332 -0.164 0 C-N-CA 120.32 -0.552 . . . . 0.0 110.799 -179.791 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -57.29 -36.52 71.15 Favored 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 120.718 -0.393 . . . . 0.0 110.603 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -71.6 -47.79 52.41 Favored 'General case' 0 N--CA 1.448 -0.565 0 C-N-CA 120.611 -0.436 . . . . 0.0 110.202 179.329 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 73.3 t -63.48 -47.11 93.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 C-N-CA 120.628 -0.429 . . . . 0.0 110.054 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 79.2 mt-10 -62.72 -39.54 94.38 Favored 'General case' 0 C--N 1.332 -0.189 0 C-N-CA 120.581 -0.447 . . . . 0.0 110.321 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 10.6 tp-100 -70.34 -38.64 74.9 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 120.604 -0.438 . . . . 0.0 110.607 179.121 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 41.0 tpp -65.07 -41.93 94.61 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-O 120.949 0.404 . . . . 0.0 110.22 -179.109 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . 0.5 ' O ' ' N ' ' A' ' 129' ' ' ASP . 58.1 mt -64.82 -46.21 92.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-O 121.189 0.519 . . . . 0.0 109.93 179.774 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -63.42 -42.57 98.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.522 179.394 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 33.2 tp10 -70.34 -33.01 70.96 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.12 0.486 . . . . 0.0 110.972 178.681 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -85.64 -29.37 24.1 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.791 -179.314 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . 0.5 ' N ' ' O ' ' A' ' 125' ' ' ILE . 35.4 t0 -61.98 93.69 0.05 OUTLIER 'General case' 0 CA--C 1.516 -0.35 0 C-N-CA 120.369 -0.533 . . . . 0.0 111.369 -179.079 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 3.8 tt -72.66 -36.3 67.91 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.443 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . 0.461 ' OD2' ' OE2' ' A' ' 140' ' ' GLU . 27.5 m-20 -76.21 -9.6 58.75 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 120.806 -0.358 . . . . 0.0 111.435 -178.475 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 65.73 30.52 77.46 Favored Glycine 0 CA--C 1.531 1.081 0 C-N-CA 120.185 -1.007 . . . . 0.0 111.374 -179.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . 0.468 ' N ' ' OD2' ' A' ' 129' ' ' ASP . 26.7 p-10 -99.61 -10.87 21.49 Favored 'General case' 0 C--N 1.337 0.065 0 O-C-N 122.316 -0.52 . . . . 0.0 110.379 179.679 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 84.37 2.89 88.96 Favored Glycine 0 C--N 1.331 0.28 0 N-CA-C 110.363 -1.095 . . . . 0.0 110.363 179.824 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 10.4 mt-30 -114.34 141.96 46.95 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-O 120.715 0.293 . . . . 0.0 110.571 -179.057 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 11.0 t -90.88 100.64 11.46 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.228 0 N-CA-C 108.429 -0.952 . . . . 0.0 108.429 178.757 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . 0.59 ' H ' ' CG ' ' A' ' 140' ' ' GLU . 61.2 t30 -97.98 -174.46 2.87 Favored 'General case' 0 N--CA 1.467 0.381 0 N-CA-C 110.06 -0.348 . . . . 0.0 110.06 -178.756 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . 0.449 ' H ' ' CG ' ' A' ' 137' ' ' ASN . 43.7 t80 -54.71 -47.02 74.24 Favored 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 120.515 -0.474 . . . . 0.0 111.356 -178.804 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -60.7 -52.1 66.54 Favored 'General case' 0 CA--C 1.519 -0.233 0 C-N-CA 120.603 -0.439 . . . . 0.0 111.55 -177.489 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . 0.59 ' CG ' ' H ' ' A' ' 137' ' ' ASN . 0.5 OUTLIER -66.92 -38.69 86.67 Favored 'General case' 0 C--N 1.312 -1.055 0 C-N-CA 120.348 -0.541 . . . . 0.0 110.108 -179.843 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . 0.455 ' O ' ' N ' ' A' ' 145' ' ' MET . 42.0 t80 -62.02 -50.52 71.7 Favored 'General case' 0 C--N 1.334 -0.102 0 N-CA-C 109.036 -0.727 . . . . 0.0 109.036 -179.703 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 24.6 t -60.25 -46.5 94.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 -179.422 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 63.8 tttp -61.83 -49.69 75.29 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.83 -0.623 . . . . 0.0 109.838 179.181 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 48.7 ttp -63.96 -40.4 96.34 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.567 0.699 . . . . 0.0 109.289 179.122 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 145' ' ' MET . . . . . 0.455 ' N ' ' O ' ' A' ' 141' ' ' PHE . 29.0 ttm -62.13 -39.32 92.15 Favored 'General case' 0 N--CA 1.442 -0.835 0 CA-C-N 115.198 -0.91 . . . . 0.0 109.706 -179.109 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 78.7 mtp -66.99 -39.81 87.24 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 120.642 -0.423 . . . . 0.0 110.1 179.856 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 98.9 m . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.483 -179.592 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 71.7 mm-40 . . . . . 0 N--CA 1.456 -0.169 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 65.8 mm-40 -45.46 -46.33 13.57 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.686 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -63.04 -43.03 99.8 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.303 -0.559 . . . . 0.0 109.963 -179.624 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -62.56 -39.15 92.74 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.416 -0.514 . . . . 0.0 109.973 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 81.0 tt0 -69.63 -50.21 46.39 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.612 -0.435 . . . . 0.0 110.325 179.567 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -54.85 -46.87 74.72 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 120.602 -0.439 . . . . 0.0 110.007 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.418 ' CD1' ' C ' ' A' ' 89' ' ' PHE . 27.6 t80 -56.33 -44.27 79.82 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.861 -0.422 . . . . 0.0 109.861 179.606 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 17.3 mmmt -61.84 -30.7 71.02 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.028 179.592 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 70.8 t -71.35 -46.16 66.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 C-N-CA 120.603 -0.439 . . . . 0.0 111.018 179.37 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -66.36 -33.35 75.52 Favored 'General case' 0 CA--C 1.513 -0.479 0 C-N-CA 120.723 -0.391 . . . . 0.0 110.724 -179.701 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.592 ' O ' ' N ' ' A' ' 96' ' ' GLN . 33.8 t0 -81.52 55.81 2.76 Favored 'General case' 0 C--N 1.321 -0.631 0 C-N-CA 120.699 -0.4 . . . . 0.0 111.629 -179.253 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.625 ' NZ ' ' CE1' ' A' ' 107' ' ' HIS . 97.5 mttt -43.06 -36.26 1.56 Allowed 'General case' 0 CA--C 1.53 0.2 0 C-N-CA 120.584 -0.446 . . . . 0.0 110.084 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . 0.422 ' OD1' ' O ' ' A' ' 95' ' ' ASP . 43.4 t0 -68.59 -19.25 64.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.525 179.738 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . 0.592 ' N ' ' O ' ' A' ' 93' ' ' ASP . 87.0 mt-30 54.27 33.03 17.34 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.654 179.862 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . 0.638 ' ND2' ' H ' ' A' ' 99' ' ' TYR . 0.0 OUTLIER -92.32 6.6 46.24 Favored 'General case' 0 N--CA 1.464 0.227 0 C-N-CA 121.052 -0.259 . . . . 0.0 111.111 -179.54 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 81.88 -3.89 77.63 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 111.459 -0.656 . . . . 0.0 111.459 179.58 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.638 ' H ' ' ND2' ' A' ' 97' ' ' ASN . 40.3 m-85 -133.77 137.11 44.97 Favored 'General case' 0 N--CA 1.467 0.412 0 O-C-N 122.746 -0.267 . . . . 0.0 110.355 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 54.2 mt -87.52 126.84 41.16 Favored 'Isoleucine or valine' 0 C--O 1.235 0.291 0 N-CA-C 108.745 -0.835 . . . . 0.0 108.745 178.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 30.3 m -94.33 163.1 13.57 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.77 -179.026 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -52.91 -43.88 66.56 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.415 -0.514 . . . . 0.0 109.745 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 66.0 m -58.12 -38.51 76.65 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 120.87 -0.332 . . . . 0.0 110.363 179.61 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -76.2 -40.22 52.84 Favored 'General case' 0 N--CA 1.441 -0.916 0 C-N-CA 120.784 -0.367 . . . . 0.0 110.131 179.065 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.42 -47.18 86.93 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-O 121.222 0.534 . . . . 0.0 110.378 -179.453 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 50.4 ptt85 -64.16 -42.96 96.51 Favored 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 120.487 -0.485 . . . . 0.0 109.86 179.812 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . 0.625 ' CE1' ' NZ ' ' A' ' 94' ' ' LYS . 14.5 t-80 -53.06 -40.65 64.17 Favored 'General case' 0 CA--C 1.521 -0.155 0 N-CA-C 109.557 -0.534 . . . . 0.0 109.557 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 53.2 t -65.11 -40.39 88.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.028 178.72 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 21.7 mmt -61.84 -44.91 95.89 Favored 'General case' 0 C--N 1.332 -0.156 0 C-N-CA 120.41 -0.516 . . . . 0.0 110.337 -179.39 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 2.1 mp -64.22 -44.61 97.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 C-N-CA 120.359 -0.537 . . . . 0.0 109.905 179.283 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -61.8 -34.6 76.2 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.662 -0.496 . . . . 0.0 109.662 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 43.9 mt -76.43 -4.64 43.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.057 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 82.8 17.29 68.22 Favored Glycine 0 CA--C 1.525 0.71 0 N-CA-C 110.706 -0.957 . . . . 0.0 110.706 179.827 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -115.94 133.83 55.61 Favored 'General case' 0 N--CA 1.466 0.345 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 179.682 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 12.7 ptpt -132.65 110.29 10.32 Favored 'General case' 0 N--CA 1.47 0.56 0 N-CA-C 110.205 -0.294 . . . . 0.0 110.205 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . 0.608 ' N ' ' CD2' ' A' ' 116' ' ' LEU . 0.9 OUTLIER -108.02 162.38 14.09 Favored 'General case' 0 N--CA 1.468 0.436 0 N-CA-C 109.63 -0.507 . . . . 0.0 109.63 -179.962 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 14.6 p -71.89 163.36 27.97 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -62.29 -38.76 90.6 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.549 -0.461 . . . . 0.0 110.405 -179.647 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -60.99 -33.35 73.11 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 120.77 -0.372 . . . . 0.0 110.702 179.835 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 72.7 mm-40 -73.28 -49.1 29.5 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.567 -0.453 . . . . 0.0 110.477 179.002 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 86.3 t -61.93 -47.81 91.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 C-N-CA 120.587 -0.445 . . . . 0.0 110.076 179.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -60.5 -39.31 87.26 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 120.797 -0.361 . . . . 0.0 110.178 179.678 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 69.9 mm-40 -68.68 -41.48 79.18 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.65 -0.42 . . . . 0.0 110.681 179.237 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 59.1 mtt -65.3 -43.14 92.04 Favored 'General case' 0 N--CA 1.445 -0.691 0 C-N-CA 120.709 -0.396 . . . . 0.0 110.769 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 59.1 mt -64.92 -45.88 93.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 121.309 0.576 . . . . 0.0 109.77 178.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 27.2 mmtp -64.12 -41.68 97.15 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.659 -0.701 . . . . 0.0 110.64 179.524 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 81.3 tt0 -71.84 -33.62 68.61 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.698 179.616 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -83.17 -28.32 29.43 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.859 -179.467 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . 0.435 ' OD1' ' OD1' ' A' ' 133' ' ' ASP . 26.7 t70 -71.5 112.05 7.31 Favored 'General case' 0 CA--C 1.511 -0.55 0 CA-C-O 121.17 0.509 . . . . 0.0 111.789 -179.211 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 8.2 tp -88.8 -24.33 22.63 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.756 -0.657 . . . . 0.0 111.613 179.544 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . 0.482 ' C ' ' H ' ' A' ' 133' ' ' ASP . 50.2 m-20 -82.71 -4.68 58.2 Favored 'General case' 0 C--N 1.331 -0.2 0 C-N-CA 120.979 -0.289 . . . . 0.0 111.756 -178.57 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 67.29 -7.05 1.99 Allowed Glycine 0 CA--C 1.527 0.792 0 C-N-CA 120.421 -0.895 . . . . 0.0 111.386 179.825 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . 0.482 ' H ' ' C ' ' A' ' 131' ' ' ASP . 30.2 p-10 -65.48 -13.35 58.64 Favored 'General case' 0 C--N 1.333 -0.115 0 C-N-CA 120.645 -0.422 . . . . 0.0 110.157 -179.543 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 80.57 12.39 82.99 Favored Glycine 0 C--N 1.329 0.147 0 N-CA-C 110.513 -1.035 . . . . 0.0 110.513 179.561 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 9.7 mt-30 -112.02 142.69 44.13 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.768 0.318 . . . . 0.0 110.459 -178.845 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 98.6 t -90.2 105.06 15.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 178.456 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . 0.552 ' ND2' ' CE2' ' A' ' 99' ' ' TYR . 19.9 t-20 -96.84 172.41 7.89 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-O 120.729 0.299 . . . . 0.0 110.233 -179.862 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 30.3 t80 -53.37 -44.52 68.65 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.758 -0.377 . . . . 0.0 110.879 -178.768 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . 0.406 ' O ' HG11 ' A' ' 142' ' ' VAL . 12.7 tm-20 -60.58 -45.91 92.19 Favored 'General case' 0 C--O 1.223 -0.319 0 C-N-CA 120.815 -0.354 . . . . 0.0 110.946 -179.342 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -71.61 -37.73 70.91 Favored 'General case' 0 C--N 1.317 -0.845 0 C-N-CA 119.936 -0.706 . . . . 0.0 109.882 179.322 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . 0.457 ' O ' ' N ' ' A' ' 145' ' ' MET . 55.0 t80 -62.69 -54.31 41.18 Favored 'General case' 0 N--CA 1.453 -0.324 0 C-N-CA 120.084 -0.646 . . . . 0.0 110.294 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . 0.459 ' CG1' ' N ' ' A' ' 143' ' ' LYS . 7.5 p -59.91 -43.94 93.31 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.278 0 CA-C-O 121.357 0.598 . . . . 0.0 109.642 -179.41 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 143' ' ' LYS . . . . . 0.459 ' N ' ' CG1' ' A' ' 142' ' ' VAL . 20.1 tptm -63.03 -49.27 75.26 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.072 179.872 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 14.2 tmm? -64.52 -37.71 88.49 Favored 'General case' 0 CA--C 1.51 -0.564 0 CA-C-O 121.646 0.736 . . . . 0.0 109.184 178.814 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 145' ' ' MET . . . . . 0.457 ' N ' ' O ' ' A' ' 141' ' ' PHE . 35.9 tpp -60.47 -35.3 75.56 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 114.898 -1.046 . . . . 0.0 109.268 -179.785 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 54.1 mmm -74.68 -44.49 49.93 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 120.949 -0.301 . . . . 0.0 110.279 179.104 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 25.3 m . . . . . 0 C--N 1.331 -0.228 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.67 -179.279 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 . . . . . 0 N--CA 1.491 1.581 0 N-CA-C 110.058 -0.349 . . . . 0.0 110.058 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -52.24 -47.83 65.51 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.386 -0.526 . . . . 0.0 109.841 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 39.1 tp10 -63.77 -29.73 70.9 Favored 'General case' 0 N--CA 1.449 -0.487 0 C-N-CA 120.895 -0.322 . . . . 0.0 110.398 -179.743 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 33.0 tp10 -71.32 -67.52 0.51 Allowed 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 178.662 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 50.6 tp10 -46.88 -44.87 19.98 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.694 -0.402 . . . . 0.0 110.269 -179.817 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 78.7 mt -63.34 -44.39 95.0 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 120.379 -0.528 . . . . 0.0 110.514 179.656 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -63.69 -40.57 97.14 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.63 -0.428 . . . . 0.0 110.313 179.348 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -61.82 -57.42 11.92 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 120.557 -0.457 . . . . 0.0 110.227 179.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -51.86 -44.31 63.61 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.517 -0.473 . . . . 0.0 109.823 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 40.7 t80 -56.94 -43.45 81.54 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 110.028 -0.36 . . . . 0.0 110.028 179.215 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 21.3 tptm -60.99 -32.8 72.36 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.649 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 95.7 t -69.86 -46.74 72.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 C-N-CA 120.62 -0.432 . . . . 0.0 110.725 179.542 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -64.98 -34.12 77.68 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.629 -0.428 . . . . 0.0 110.39 179.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.49 ' OD2' ' N ' ' A' ' 98' ' ' GLY . 30.1 t0 -71.62 59.73 0.32 Allowed 'General case' 0 C--N 1.323 -0.583 0 C-N-CA 120.625 -0.43 . . . . 0.0 110.674 -179.379 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 64.6 tttm -48.16 -45.93 33.96 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.48 -0.488 . . . . 0.0 110.023 -179.229 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . 0.436 ' OD2' ' OE2' ' A' ' 104' ' ' GLU . 5.4 m-20 -72.16 -8.89 57.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.938 0.399 . . . . 0.0 110.199 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . 0.473 ' N ' ' O ' ' A' ' 93' ' ' ASP . 37.7 tt0 52.08 32.37 10.26 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.005 -179.668 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . 0.435 ' OD1' ' O ' ' A' ' 99' ' ' TYR . 46.7 p-10 -89.37 8.67 29.47 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 120.817 -0.353 . . . . 0.0 111.194 -179.104 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . 0.49 ' N ' ' OD2' ' A' ' 93' ' ' ASP . . . 79.15 -6.65 56.01 Favored Glycine 0 CA--C 1.526 0.723 0 N-CA-C 111.468 -0.653 . . . . 0.0 111.468 179.435 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.435 ' O ' ' OD1' ' A' ' 97' ' ' ASN . 34.9 m-85 -130.27 134.61 47.35 Favored 'General case' 0 N--CA 1.467 0.408 0 N-CA-C 110.234 -0.284 . . . . 0.0 110.234 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 16.0 mt -84.16 128.2 39.09 Favored 'Isoleucine or valine' 0 C--O 1.236 0.373 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 179.027 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 5.3 p -94.01 156.86 16.38 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.554 -179.28 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -52.88 -42.61 65.46 Favored 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 120.381 -0.528 . . . . 0.0 110.047 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' SER . . . . . 0.513 ' HG ' HH21 ' A' ' 106' ' ' ARG . 50.5 m -59.77 -41.58 91.39 Favored 'General case' 0 C--N 1.331 -0.207 0 C-N-CA 120.772 -0.371 . . . . 0.0 110.669 179.516 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.436 ' OE2' ' OD2' ' A' ' 95' ' ' ASP . 87.8 mt-10 -64.07 -38.96 92.97 Favored 'General case' 0 N--CA 1.443 -0.808 0 C-N-CA 120.67 -0.412 . . . . 0.0 110.354 179.545 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 26.2 tp -63.97 -43.87 94.45 Favored 'General case' 0 CA--C 1.53 0.191 0 CA-C-O 121.042 0.449 . . . . 0.0 110.214 179.205 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . 0.513 HH21 ' HG ' ' A' ' 103' ' ' SER . 84.8 mtm180 -59.23 -49.94 75.92 Favored 'General case' 0 C--O 1.218 -0.581 0 C-N-CA 120.344 -0.542 . . . . 0.0 110.347 -179.691 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 11.8 t-80 -53.68 -40.45 65.96 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 120.696 -0.402 . . . . 0.0 110.065 179.429 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 77.7 t -63.49 -43.54 98.4 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 N-CA-C 109.89 -0.411 . . . . 0.0 109.89 179.144 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 14.5 mmt -57.33 -41.46 80.01 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.483 -0.487 . . . . 0.0 109.973 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 11.5 mm -65.29 -42.98 95.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 C-N-CA 120.648 -0.421 . . . . 0.0 109.875 179.218 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 15.1 t30 -59.52 -36.82 76.83 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.152 179.594 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 9.0 mp -77.01 -4.22 43.07 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.927 179.566 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 78.83 19.75 72.34 Favored Glycine 0 CA--C 1.526 0.738 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -117.68 138.54 51.92 Favored 'General case' 0 N--CA 1.466 0.348 0 N-CA-C 109.748 -0.464 . . . . 0.0 109.748 179.59 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -137.44 112.64 9.17 Favored 'General case' 0 N--CA 1.468 0.461 0 N-CA-C 110.192 -0.299 . . . . 0.0 110.192 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 48.5 mt -102.65 163.16 12.38 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 109.646 -0.501 . . . . 0.0 109.646 179.735 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 1.2 m -68.54 162.14 26.37 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.126 -0.63 . . . . 0.0 109.632 -179.755 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 91.0 m-20 -60.3 -38.62 84.2 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.376 -0.53 . . . . 0.0 110.23 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -65.6 -31.89 73.17 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.754 -0.378 . . . . 0.0 110.497 179.325 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . 0.546 ' OE1' ' N ' ' A' ' 120' ' ' GLU . 0.2 OUTLIER -70.51 -49.29 49.82 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.471 -0.492 . . . . 0.0 110.259 179.26 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 85.7 t -63.54 -47.29 92.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 C-N-CA 120.521 -0.472 . . . . 0.0 110.216 179.735 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 44.2 tp10 -56.54 -39.05 72.74 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.796 -0.362 . . . . 0.0 110.41 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 81.8 mt-30 -67.24 -37.95 84.39 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 120.703 -0.399 . . . . 0.0 110.737 179.015 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 39.2 ttm -63.12 -44.18 96.34 Favored 'General case' 0 N--CA 1.45 -0.461 0 C-N-CA 120.78 -0.368 . . . . 0.0 110.417 -179.651 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 48.1 mm -61.54 -48.72 87.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 C-N-CA 120.585 -0.446 . . . . 0.0 110.048 179.189 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 48.7 mtmt -64.52 -44.94 89.29 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.239 179.548 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 81.2 tt0 -66.49 -38.43 87.24 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.14 -179.767 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -75.87 -29.9 58.69 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.441 -179.069 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . 0.545 ' OD2' ' N ' ' A' ' 133' ' ' ASP . 33.1 t0 -75.81 115.21 15.28 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.186 0.517 . . . . 0.0 111.897 -178.834 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 53.7 tp -85.32 -27.27 26.03 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.379 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . 0.455 ' OD1' ' OD1' ' A' ' 129' ' ' ASP . 44.1 p30 -100.29 12.26 37.51 Favored 'General case' 0 N--CA 1.465 0.275 0 C-N-CA 121.156 -0.217 . . . . 0.0 111.378 -178.784 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 44.94 26.22 1.14 Allowed Glycine 0 CA--C 1.529 0.957 0 C-N-CA 120.361 -0.923 . . . . 0.0 111.345 179.674 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . 0.545 ' N ' ' OD2' ' A' ' 129' ' ' ASP . 19.0 p-10 -72.03 -16.65 62.05 Favored 'General case' 0 N--CA 1.462 0.155 0 C-N-CA 120.713 -0.395 . . . . 0.0 110.472 179.593 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 94.0 -10.59 71.83 Favored Glycine 0 C--O 1.229 -0.21 0 N-CA-C 110.382 -1.087 . . . . 0.0 110.382 179.643 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 22.7 mt-30 -117.69 138.88 51.7 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-O 120.676 0.274 . . . . 0.0 110.682 -178.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 75.3 t -81.86 116.2 25.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 N-CA-C 108.538 -0.912 . . . . 0.0 108.538 178.639 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 18.1 t-20 -93.02 165.43 12.86 Favored 'General case' 0 N--CA 1.469 0.504 0 N-CA-C 109.943 -0.391 . . . . 0.0 109.943 179.653 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 85.1 t80 -49.52 -48.75 47.93 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.532 -0.467 . . . . 0.0 111.017 -178.767 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . 0.436 ' CG ' ' N ' ' A' ' 140' ' ' GLU . 6.5 pt-20 -58.01 -41.48 83.17 Favored 'General case' 0 C--O 1.225 -0.223 0 CA-C-O 121.026 0.441 . . . . 0.0 110.972 -179.229 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . 0.436 ' N ' ' CG ' ' A' ' 139' ' ' GLU . 82.8 mt-10 -70.13 -39.23 75.54 Favored 'General case' 0 C--N 1.321 -0.636 0 C-N-CA 120.052 -0.659 . . . . 0.0 109.82 179.736 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 58.6 t80 -62.78 -55.79 23.37 Favored 'General case' 0 N--CA 1.452 -0.335 0 C-N-CA 120.184 -0.606 . . . . 0.0 110.354 -179.646 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . 0.4 ' CG1' ' N ' ' A' ' 143' ' ' LYS . 14.8 p -57.59 -43.32 83.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 -179.755 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 143' ' ' LYS . . . . . 0.4 ' N ' ' CG1' ' A' ' 142' ' ' VAL . 55.7 tttp -60.79 -49.51 77.18 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.889 -0.596 . . . . 0.0 109.794 179.109 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 56.8 ttp -62.24 -39.07 91.64 Favored 'General case' 0 CA--C 1.514 -0.406 0 CA-C-O 121.439 0.638 . . . . 0.0 109.333 178.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 145' ' ' MET . . . . . 0.431 ' O ' ' N ' ' A' ' 149' ' ' ARG . 39.4 ttm -64.88 -39.07 92.96 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 115.155 -0.929 . . . . 0.0 109.978 179.787 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 87.2 mtp -63.72 -37.23 86.59 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 110.026 -0.361 . . . . 0.0 110.026 179.443 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 98.2 m -61.41 -71.42 0.15 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.475 -179.791 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 96.8 t -65.43 -44.77 94.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.555 179.702 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 149' ' ' ARG . . . . . 0.431 ' N ' ' O ' ' A' ' 145' ' ' MET . 58.0 ttp180 . . . . . 0 C--O 1.218 -0.557 0 CA-C-O 118.054 -0.974 . . . . 0.0 110.306 179.63 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 221' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 234' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 85.9 m-20 . . . . . 0 N--CA 1.493 1.706 0 N-CA-C 109.487 -0.56 . . . . 0.0 109.487 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -52.94 -48.28 67.43 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.414 -0.515 . . . . 0.0 109.83 -179.782 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 44.4 tp10 -63.55 -30.55 71.65 Favored 'General case' 0 N--CA 1.45 -0.466 0 C-N-CA 120.888 -0.325 . . . . 0.0 110.299 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 14.1 tm-20 -66.34 -69.12 0.32 Allowed 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.022 -0.733 . . . . 0.0 109.022 178.763 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -45.45 -44.99 12.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.493 -179.747 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 80.5 mt -61.88 -44.9 95.87 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 120.36 -0.536 . . . . 0.0 110.44 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -63.73 -42.31 97.92 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 120.387 -0.525 . . . . 0.0 110.452 179.402 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 14.0 tm-20 -64.96 -55.03 21.51 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 120.463 -0.495 . . . . 0.0 110.22 179.772 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -51.69 -44.75 63.23 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 120.45 -0.5 . . . . 0.0 109.685 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 44.7 t80 -56.15 -46.28 79.33 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.738 -0.385 . . . . 0.0 110.158 179.622 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -58.42 -32.91 69.1 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.522 -0.308 . . . . 0.0 110.792 179.224 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 91.6 t -69.15 -47.32 75.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 C-N-CA 120.589 -0.445 . . . . 0.0 110.868 179.226 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -65.14 -34.77 79.18 Favored 'General case' 0 CA--C 1.517 -0.308 0 C-N-CA 120.726 -0.39 . . . . 0.0 110.367 179.596 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.503 ' OD2' ' N ' ' A' ' 98' ' ' GLY . 43.1 t0 -73.03 61.94 0.6 Allowed 'General case' 0 C--N 1.323 -0.567 0 C-N-CA 120.688 -0.405 . . . . 0.0 110.476 -179.353 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -50.61 -46.45 58.05 Favored 'General case' 0 C--N 1.333 -0.145 0 C-N-CA 120.472 -0.491 . . . . 0.0 110.154 -179.275 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -70.12 -5.56 27.9 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.931 0.396 . . . . 0.0 110.194 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 43.7 tp60 49.25 26.11 1.43 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.238 -179.522 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 39.2 p-10 -80.69 2.61 25.2 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 120.763 -0.375 . . . . 0.0 111.187 -179.247 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . 0.503 ' N ' ' OD2' ' A' ' 93' ' ' ASP . . . 84.88 -6.4 78.77 Favored Glycine 0 CA--C 1.527 0.807 0 N-CA-C 111.252 -0.739 . . . . 0.0 111.252 179.628 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 68.7 m-85 -132.05 136.71 47.41 Favored 'General case' 0 N--CA 1.468 0.436 0 N-CA-C 110.235 -0.283 . . . . 0.0 110.235 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 20.9 mt -82.68 123.67 38.66 Favored 'Isoleucine or valine' 0 C--O 1.235 0.317 0 N-CA-C 108.844 -0.798 . . . . 0.0 108.844 179.175 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 9.2 p -89.02 155.08 19.7 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.715 -179.229 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -53.89 -42.88 69.17 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.374 -0.531 . . . . 0.0 109.958 179.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 49.7 m -59.2 -41.88 89.61 Favored 'General case' 0 C--O 1.234 0.283 0 C-N-CA 120.754 -0.378 . . . . 0.0 110.533 179.677 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 91.7 mt-10 -64.7 -37.83 88.91 Favored 'General case' 0 N--CA 1.443 -0.783 0 C-N-CA 120.667 -0.413 . . . . 0.0 110.436 179.274 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 32.6 tp -62.41 -42.3 99.33 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-O 120.804 0.335 . . . . 0.0 110.155 179.248 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 96.3 mtt-85 -61.4 -46.05 91.79 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.512 -0.475 . . . . 0.0 109.907 -179.619 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 11.8 t-160 -57.95 -42.84 85.78 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 120.499 -0.48 . . . . 0.0 109.758 179.386 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 79.4 t -62.36 -46.62 96.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 C-N-CA 120.67 -0.412 . . . . 0.0 110.041 179.332 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 43.6 mtt -58.56 -41.77 86.39 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.586 -0.446 . . . . 0.0 110.028 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 97.2 mt -64.78 -43.42 96.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 C-N-CA 120.575 -0.45 . . . . 0.0 109.922 178.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 24.6 t-20 -60.83 -35.54 76.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.172 179.703 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 8.6 mp -76.32 -3.29 35.95 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.087 179.517 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 80.43 15.94 77.13 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -112.93 132.02 55.5 Favored 'General case' 0 N--CA 1.467 0.385 0 N-CA-C 109.57 -0.53 . . . . 0.0 109.57 179.661 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 15.9 pttp -130.46 107.49 9.27 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-O 120.871 0.367 . . . . 0.0 110.457 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . 0.605 ' N ' ' CD2' ' A' ' 116' ' ' LEU . 0.8 OUTLIER -101.32 157.44 16.79 Favored 'General case' 0 CA--C 1.516 -0.349 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 11.6 m -65.02 160.34 21.12 Favored 'General case' 0 N--CA 1.453 -0.301 0 N-CA-C 109.408 -0.589 . . . . 0.0 109.408 -179.693 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 93.4 m-20 -61.09 -38.99 88.24 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.535 -0.466 . . . . 0.0 110.323 -179.588 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -61.45 -32.46 72.45 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.705 -0.398 . . . . 0.0 110.461 179.773 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -72.54 -48.86 36.87 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 120.544 -0.463 . . . . 0.0 110.463 179.087 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 91.9 t -62.17 -47.24 94.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 C-N-CA 120.578 -0.449 . . . . 0.0 109.914 179.677 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 69.2 mm-40 -58.39 -38.45 77.35 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.715 -0.394 . . . . 0.0 110.494 179.578 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 19.8 mt-30 -69.48 -39.4 77.69 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 120.667 -0.413 . . . . 0.0 110.679 178.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 58.2 ttm -61.41 -44.44 97.13 Favored 'General case' 0 N--CA 1.449 -0.511 0 C-N-CA 120.735 -0.386 . . . . 0.0 110.413 -179.691 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 43.4 mm -62.78 -47.35 93.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 N-CA-C 109.689 -0.485 . . . . 0.0 109.689 179.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 53.2 mtmt -65.15 -44.0 89.99 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.923 179.077 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 38.9 tp10 -67.17 -37.15 83.26 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.64 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -76.26 -28.94 57.27 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.203 -179.53 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 87.2 m-20 -77.21 116.3 17.72 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.289 0.566 . . . . 0.0 111.417 -179.221 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 5.9 tt -82.17 -26.31 33.52 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.408 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 40.3 p30 -108.17 15.3 24.3 Favored 'General case' 0 N--CA 1.467 0.394 0 N-CA-C 111.629 0.233 . . . . 0.0 111.629 -179.193 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 39.75 52.44 3.15 Favored Glycine 0 CA--C 1.529 0.919 0 C-N-CA 120.672 -0.775 . . . . 0.0 111.347 179.77 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . 0.544 ' OD1' ' N ' ' A' ' 134' ' ' GLY . 43.7 p-10 -96.41 -17.77 20.37 Favored 'General case' 0 N--CA 1.467 0.38 0 O-C-N 122.563 -0.375 . . . . 0.0 110.242 -179.891 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . 0.544 ' N ' ' OD1' ' A' ' 133' ' ' ASP . . . 97.66 -12.14 64.57 Favored Glycine 0 C--N 1.33 0.224 0 N-CA-C 110.382 -1.087 . . . . 0.0 110.382 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . 0.598 ' O ' 'CA ' ' A' ' 234' ' ' ' CA' . 5.2 mt-30 -115.91 131.16 57.02 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-O 120.735 0.302 . . . . 0.0 110.522 -178.674 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 36.6 t -81.69 119.21 30.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 N-CA-C 108.522 -0.918 . . . . 0.0 108.522 178.254 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 54.4 t30 -94.65 168.74 10.65 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-O 120.75 0.31 . . . . 0.0 110.169 179.368 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 74.3 t80 -50.67 -46.87 58.79 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.717 -0.393 . . . . 0.0 110.996 -178.638 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 42.9 tp10 -58.81 -46.0 88.65 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.753 -0.379 . . . . 0.0 111.024 -179.474 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 66.6 mt-10 -66.13 -39.28 89.74 Favored 'General case' 0 N--CA 1.451 -0.417 0 C-N-CA 120.166 -0.614 . . . . 0.0 110.272 179.737 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . 0.435 ' O ' ' N ' ' A' ' 145' ' ' MET . 53.2 t80 -63.15 -49.8 72.89 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 178.892 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 39.8 t -59.36 -46.88 92.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 N-CA-C 108.987 -0.745 . . . . 0.0 108.987 179.531 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -61.91 -49.19 77.18 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.737 179.61 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 14.2 tmm? -62.17 -39.72 93.58 Favored 'General case' 0 CA--C 1.512 -0.491 0 CA-C-O 121.544 0.687 . . . . 0.0 109.478 178.66 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 145' ' ' MET . . . . . 0.435 ' N ' ' O ' ' A' ' 141' ' ' PHE . 31.0 ttm -62.19 -38.76 90.32 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 115.124 -0.944 . . . . 0.0 109.871 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 146' ' ' MET . . . . . 0.442 ' C ' ' N ' ' A' ' 148' ' ' VAL . 56.6 mtm -64.53 -39.96 94.73 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 120.755 -0.378 . . . . 0.0 110.12 179.184 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 25.8 m -47.99 -17.26 0.11 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.299 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 148' ' ' VAL . . . . . 0.442 ' N ' ' C ' ' A' ' 146' ' ' MET . 21.8 t -78.94 -2.09 4.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.545 179.825 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 149' ' ' ARG . . . . . 0.414 ' N ' ' O ' ' A' ' 146' ' ' MET . 95.8 mtt-85 . . . . . 0 C--O 1.219 -0.502 0 CA-C-O 118.04 -0.981 . . . . 0.0 110.14 179.665 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 221' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 234' ' ' ' CA' . . . . . 0.598 'CA ' ' O ' ' A' ' 135' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 24.3 t70 . . . . . 0 N--CA 1.49 1.554 0 N-CA-C 109.941 -0.392 . . . . 0.0 109.941 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -49.38 -46.73 47.66 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 -179.659 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -63.74 -32.8 74.41 Favored 'General case' 0 N--CA 1.451 -0.411 0 C-N-CA 120.703 -0.399 . . . . 0.0 110.256 -179.639 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 82.3 tt0 -69.38 -68.27 0.42 Allowed 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 108.978 -0.749 . . . . 0.0 108.978 179.244 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -46.45 -44.02 17.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.217 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 51.2 tp -62.92 -44.72 95.31 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.291 -0.563 . . . . 0.0 110.199 179.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 89.2 tttt -60.9 -37.65 82.97 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.721 -0.392 . . . . 0.0 110.109 -179.48 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -66.99 -51.84 50.05 Favored 'General case' 0 N--CA 1.451 -0.419 0 C-N-CA 120.704 -0.398 . . . . 0.0 110.238 179.397 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -52.88 -46.28 67.85 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 120.475 -0.49 . . . . 0.0 109.899 -179.491 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 69.8 t80 -56.32 -44.81 80.31 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 109.921 -0.4 . . . . 0.0 109.921 179.662 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 16.5 mmmt -60.14 -34.28 73.32 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.819 179.512 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 84.7 t -68.91 -42.68 82.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.769 179.312 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -61.6 -35.43 77.84 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.58 -179.667 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.59 ' OD2' ' N ' ' A' ' 98' ' ' GLY . 6.9 t0 -72.08 72.29 0.87 Allowed 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.136 0.493 . . . . 0.0 110.848 -178.896 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 25.2 mtpp -50.95 -48.52 60.96 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 120.125 -0.63 . . . . 0.0 110.407 -179.354 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . 0.509 ' OD1' ' N ' ' A' ' 97' ' ' ASN . 7.7 p30 -79.37 -0.5 32.99 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.819 0.342 . . . . 0.0 110.512 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . 0.402 ' CD ' ' O ' ' A' ' 96' ' ' GLN . 0.4 OUTLIER 50.44 37.64 16.18 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.556 179.9 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . 0.509 ' N ' ' OD1' ' A' ' 95' ' ' ASP . 52.0 p-10 -85.06 -2.66 58.24 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.772 -0.371 . . . . 0.0 111.28 -179.208 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . 0.59 ' N ' ' OD2' ' A' ' 93' ' ' ASP . . . 90.53 -4.53 82.31 Favored Glycine 0 CA--C 1.53 1.028 0 N-CA-C 111.583 -0.607 . . . . 0.0 111.583 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 32.0 m-85 -128.67 172.26 11.4 Favored 'General case' 0 N--CA 1.467 0.419 0 N-CA-C 109.452 -0.574 . . . . 0.0 109.452 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 21.3 mt -120.43 130.37 74.51 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.48 0 N-CA-C 108.794 -0.817 . . . . 0.0 108.794 178.739 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 39.7 t -107.11 154.88 20.5 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.58 -179.586 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -52.22 -39.5 60.34 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 -179.688 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 38.9 t -60.88 -43.08 98.93 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-O 121.056 0.455 . . . . 0.0 110.137 179.627 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 92.8 mt-10 -71.23 -41.72 69.82 Favored 'General case' 0 N--CA 1.442 -0.85 0 C-N-CA 120.507 -0.477 . . . . 0.0 110.625 179.379 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 46.4 tp -65.7 -45.32 83.2 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-O 120.77 0.319 . . . . 0.0 111.47 179.631 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . 0.489 ' CG ' ' N ' ' A' ' 107' ' ' HIS . 11.5 ptm180 -64.87 -46.88 79.96 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.224 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . 0.489 ' N ' ' CG ' ' A' ' 106' ' ' ARG . 13.4 t-80 -57.58 -43.25 84.46 Favored 'General case' 0 CA--C 1.517 -0.294 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 -179.565 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 72.5 t -65.55 -43.11 94.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.979 178.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 3.3 mmt -60.62 -39.88 89.83 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.688 -0.405 . . . . 0.0 110.211 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 98.1 mt -65.29 -44.11 94.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 N-CA-C 109.888 -0.412 . . . . 0.0 109.888 179.101 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 13.9 t30 -60.34 -26.53 66.65 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.084 -0.507 . . . . 0.0 109.937 179.724 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 8.0 mp -87.42 0.82 54.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.105 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 84.92 9.98 79.69 Favored Glycine 0 CA--C 1.524 0.597 0 N-CA-C 110.905 -0.878 . . . . 0.0 110.905 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -111.47 123.68 50.71 Favored 'General case' 0 N--CA 1.465 0.305 0 N-CA-C 109.856 -0.424 . . . . 0.0 109.856 179.62 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 16.3 ptmt -136.44 112.3 9.54 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 121.058 0.456 . . . . 0.0 110.37 -179.496 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 25.2 mt -101.04 157.57 16.66 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.449 -0.575 . . . . 0.0 109.449 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' THR . . . . . 0.446 ' N ' ' OE1' ' A' ' 120' ' ' GLU . 11.6 m -64.15 162.8 13.74 Favored 'General case' 0 N--CA 1.453 -0.304 0 N-CA-C 109.117 -0.698 . . . . 0.0 109.117 -179.593 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -61.33 -39.31 90.07 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 120.701 -0.4 . . . . 0.0 110.153 -179.407 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -65.29 -31.56 72.76 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 120.764 -0.374 . . . . 0.0 110.487 179.671 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . 0.446 ' OE1' ' N ' ' A' ' 117' ' ' THR . 69.7 mt-10 -70.04 -47.2 62.99 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.644 -0.422 . . . . 0.0 110.305 178.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 69.0 t -64.32 -45.73 95.22 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 C-N-CA 120.665 -0.414 . . . . 0.0 109.994 179.557 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 34.7 tp10 -57.42 -37.7 73.2 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 22.8 mt-30 -71.26 -40.71 70.79 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.662 179.039 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 34.1 ttm -62.3 -46.46 88.66 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-O 120.776 0.322 . . . . 0.0 110.443 -179.699 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 7.5 mm -62.89 -48.16 89.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 179.743 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 29.2 mmtp -64.62 -43.32 94.13 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.969 179.656 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 80.8 tt0 -69.56 -37.07 76.87 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.74 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -78.11 -29.9 49.19 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.594 -179.343 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . 0.529 ' OD2' ' N ' ' A' ' 133' ' ' ASP . 67.1 t0 -77.42 119.93 21.71 Favored 'General case' 0 CA--C 1.51 -0.568 0 CA-C-O 121.255 0.55 . . . . 0.0 111.593 -179.423 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 7.1 tp -84.96 -21.07 29.71 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.42 -0.809 . . . . 0.0 111.309 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . 0.403 ' OD1' ' C ' ' A' ' 131' ' ' ASP . 19.6 p30 -110.62 12.19 22.72 Favored 'General case' 0 N--CA 1.47 0.565 0 N-CA-C 111.568 0.21 . . . . 0.0 111.568 -179.009 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 41.19 30.31 0.43 Allowed Glycine 0 CA--C 1.528 0.872 0 N-CA-C 111.191 -0.763 . . . . 0.0 111.191 179.73 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . 0.529 ' N ' ' OD2' ' A' ' 129' ' ' ASP . 43.0 p-10 -72.01 -18.67 61.95 Favored 'General case' 0 C--O 1.231 0.125 0 C-N-CA 120.792 -0.363 . . . . 0.0 110.413 -179.792 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 98.12 -7.66 62.5 Favored Glycine 0 C--N 1.332 0.332 0 N-CA-C 110.373 -1.091 . . . . 0.0 110.373 179.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -120.97 135.12 55.28 Favored 'General case' 0 N--CA 1.454 -0.269 0 N-CA-C 110.171 -0.307 . . . . 0.0 110.171 -178.37 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 99.2 t -84.27 118.51 31.66 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 N-CA-C 108.613 -0.884 . . . . 0.0 108.613 178.264 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 49.4 p-10 -93.86 170.94 9.18 Favored 'General case' 0 N--CA 1.467 0.384 0 N-CA-C 109.862 -0.422 . . . . 0.0 109.862 179.389 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 60.7 t80 -54.26 -45.1 72.33 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.951 -0.3 . . . . 0.0 111.16 -178.529 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 41.0 tp10 -58.39 -45.06 89.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.836 0.351 . . . . 0.0 110.654 -179.415 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -72.39 -35.85 68.52 Favored 'General case' 0 N--CA 1.446 -0.641 0 C-N-CA 119.841 -0.743 . . . . 0.0 109.537 179.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 64.5 t80 -62.83 -55.0 30.27 Favored 'General case' 0 C--O 1.232 0.16 0 C-N-CA 120.494 -0.482 . . . . 0.0 110.371 179.73 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . 0.417 ' CG1' ' N ' ' A' ' 143' ' ' LYS . 11.6 p -59.37 -43.24 89.78 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.139 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 143' ' ' LYS . . . . . 0.417 ' N ' ' CG1' ' A' ' 142' ' ' VAL . 3.6 ttmp? -61.09 -49.85 75.64 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.857 -0.61 . . . . 0.0 109.96 179.393 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 56.8 ttp -60.62 -39.41 88.1 Favored 'General case' 0 CA--C 1.512 -0.512 0 CA-C-N 115.639 -0.709 . . . . 0.0 109.293 179.42 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 145' ' ' MET . . . . . 0.404 ' O ' ' C ' ' A' ' 149' ' ' ARG . 47.5 ttm -66.12 -39.99 90.36 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 114.831 -1.077 . . . . 0.0 110.118 179.158 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 11.6 mmt -61.29 -37.49 83.36 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 26.5 m -58.32 -71.73 0.11 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.544 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 71.8 t -60.83 -43.11 94.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.598 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 149' ' ' ARG . . . . . 0.404 ' C ' ' O ' ' A' ' 145' ' ' MET . 13.6 ptm180 . . . . . 0 C--O 1.22 -0.452 0 CA-C-O 117.883 -1.055 . . . . 0.0 111.11 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 221' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 234' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 46.2 t0 . . . . . 0 N--CA 1.491 1.592 0 N-CA-C 109.691 -0.485 . . . . 0.0 109.691 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -51.3 -47.12 62.67 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 120.434 -0.506 . . . . 0.0 109.739 -179.723 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.527 ' OE1' ' NZ ' ' A' ' 86' ' ' LYS . 3.0 tm-20 -64.72 -34.33 78.07 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.588 -179.757 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -62.73 -70.7 0.19 Allowed 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 179.149 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 76.1 mm-40 -43.36 -38.11 2.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.68 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 37.8 mt -61.81 -43.85 98.03 Favored 'General case' 0 C--O 1.231 0.128 0 C-N-CA 120.424 -0.51 . . . . 0.0 110.232 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.527 ' NZ ' ' OE1' ' A' ' 82' ' ' GLU . 48.0 mttp -61.8 -41.4 97.71 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.424 -0.51 . . . . 0.0 110.15 179.228 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 13.8 tm-20 -64.75 -53.87 40.25 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 120.491 -0.483 . . . . 0.0 110.139 179.721 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -55.09 -49.35 71.9 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.911 0.386 . . . . 0.0 109.968 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 33.3 t80 -58.0 -41.87 83.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.042 179.711 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.541 ' HZ3' ' NE2' ' A' ' 96' ' ' GLN . 63.1 tttp -60.62 -33.68 73.12 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.675 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 70.2 t -68.01 -47.11 80.25 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.24 0 C-N-CA 120.746 -0.381 . . . . 0.0 110.77 179.262 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -68.51 -34.67 76.29 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.39 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 35.8 t0 -71.78 60.41 0.36 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.5 -179.42 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 17.1 tptp -51.39 -46.47 62.86 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.527 -0.469 . . . . 0.0 110.048 -179.003 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . 0.443 ' OD2' ' OE2' ' A' ' 104' ' ' GLU . 5.5 m-20 -70.48 -7.78 46.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.891 0.377 . . . . 0.0 110.031 -179.605 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . 0.541 ' NE2' ' HZ3' ' A' ' 90' ' ' LYS . 3.8 tp-100 49.93 32.75 5.84 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.102 -179.823 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 49.4 p-10 -90.55 4.73 50.36 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 116.506 -0.315 . . . . 0.0 111.321 -179.191 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 82.77 -7.53 65.54 Favored Glycine 0 CA--C 1.528 0.855 0 N-CA-C 111.484 -0.646 . . . . 0.0 111.484 179.426 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 63.3 m-85 -128.94 134.04 48.07 Favored 'General case' 0 N--CA 1.468 0.454 0 N-CA-C 110.425 -0.213 . . . . 0.0 110.425 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 31.1 mt -84.33 129.85 36.94 Favored 'Isoleucine or valine' 0 C--O 1.237 0.43 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 178.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 4.0 m -97.92 157.07 16.31 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.56 -179.499 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -52.11 -41.54 62.54 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.692 -0.485 . . . . 0.0 109.692 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 78.0 p -59.04 -41.77 88.66 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.695 -0.402 . . . . 0.0 110.271 179.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.443 ' OE2' ' OD2' ' A' ' 95' ' ' ASP . 87.9 mt-10 -68.5 -39.53 81.25 Favored 'General case' 0 N--CA 1.444 -0.729 0 C-N-CA 120.832 -0.347 . . . . 0.0 111.001 179.338 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.37 -42.56 98.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.028 0.442 . . . . 0.0 109.963 -179.448 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . 0.405 ' HG2' ' N ' ' A' ' 107' ' ' HIS . 9.3 ptt-85 -64.06 -44.64 91.81 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 120.387 -0.525 . . . . 0.0 109.694 179.357 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . 0.405 ' N ' ' HG2' ' A' ' 106' ' ' ARG . 29.6 t-80 -52.42 -40.9 62.73 Favored 'General case' 0 CA--C 1.514 -0.43 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 -178.865 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 85.0 t -66.14 -40.75 87.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.154 178.581 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 17.0 mmt -59.89 -45.33 92.88 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 120.574 -0.45 . . . . 0.0 110.633 -178.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.419 ' N ' ' CD1' ' A' ' 110' ' ' ILE . 1.4 mp -65.97 -43.02 92.87 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.318 0 N-CA-C 109.886 -0.413 . . . . 0.0 109.886 178.597 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . 0.433 ' OD1' ' O ' ' A' ' 111' ' ' ASN . 53.9 t-20 -61.62 -37.53 84.28 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.431 -179.532 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -78.07 -2.75 38.83 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.122 179.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 85.19 17.29 63.03 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 179.629 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -112.61 128.71 56.45 Favored 'General case' 0 N--CA 1.464 0.269 0 N-CA-C 109.916 -0.402 . . . . 0.0 109.916 179.389 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 32.0 mtpt -132.15 109.8 10.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.907 0.384 . . . . 0.0 110.413 -179.617 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 72.8 mt -118.58 165.4 13.99 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.703 179.553 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -73.73 164.83 26.13 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.618 -0.512 . . . . 0.0 109.618 179.595 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 55.2 t0 -62.41 -37.36 85.51 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.597 -0.441 . . . . 0.0 110.614 -179.585 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -56.26 -39.48 72.68 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.887 -0.325 . . . . 0.0 110.671 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 62.0 mm-40 -71.82 -48.98 42.54 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.64 -0.424 . . . . 0.0 110.244 178.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 76.5 t -64.2 -46.39 93.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 C-N-CA 120.647 -0.421 . . . . 0.0 110.051 179.759 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 43.4 tp10 -60.08 -37.59 80.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.072 -0.513 . . . . 0.0 109.956 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 60.0 tt0 -62.01 -45.56 93.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.217 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 74.8 mtm -65.21 -39.55 92.93 Favored 'General case' 0 N--CA 1.446 -0.659 0 C-N-CA 120.964 -0.294 . . . . 0.0 110.269 179.714 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 5.6 mm -62.9 -45.62 98.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -67.41 -41.98 83.99 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.434 -0.803 . . . . 0.0 111.109 178.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 12.6 tm-20 -70.05 -38.87 75.93 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.043 -179.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -70.39 -29.36 65.98 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.505 -0.77 . . . . 0.0 111.283 -178.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . 0.527 ' OD2' ' N ' ' A' ' 133' ' ' ASP . 23.2 t0 -78.64 116.49 19.04 Favored 'General case' 0 CA--C 1.51 -0.589 0 CA-C-O 121.429 0.633 . . . . 0.0 111.605 -178.852 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 6.1 tp -86.17 -24.59 26.09 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 114.975 -1.011 . . . . 0.0 111.586 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 42.8 p30 -103.84 11.21 35.97 Favored 'General case' 0 N--CA 1.47 0.529 0 N-CA-C 111.601 0.223 . . . . 0.0 111.601 -179.116 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . 0.408 ' CA ' ' OD2' ' A' ' 129' ' ' ASP . . . 44.03 30.25 1.72 Allowed Glycine 0 CA--C 1.528 0.895 0 C-N-CA 120.803 -0.713 . . . . 0.0 111.332 179.429 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . 0.527 ' N ' ' OD2' ' A' ' 129' ' ' ASP . 15.2 p-10 -74.33 -17.58 60.82 Favored 'General case' 0 C--N 1.333 -0.119 0 CA-C-O 120.946 0.403 . . . . 0.0 110.748 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 97.16 -7.79 64.54 Favored Glycine 0 C--N 1.332 0.319 0 N-CA-C 110.213 -1.155 . . . . 0.0 110.213 179.692 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -122.86 139.31 54.16 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-O 120.843 0.354 . . . . 0.0 110.302 -178.383 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 88.6 t -81.85 121.36 35.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 N-CA-C 108.471 -0.937 . . . . 0.0 108.471 178.802 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 64.3 t30 -93.89 164.45 13.1 Favored 'General case' 0 N--CA 1.465 0.308 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 179.301 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 73.6 t80 -46.09 -51.27 14.15 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.486 -0.325 . . . . 0.0 111.061 -178.793 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 -59.78 -42.04 92.45 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.879 -0.328 . . . . 0.0 110.743 -179.689 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 75.3 mt-10 -66.14 -42.18 89.42 Favored 'General case' 0 N--CA 1.45 -0.458 0 C-N-CA 120.395 -0.522 . . . . 0.0 110.09 179.705 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 55.5 t80 -61.88 -50.13 73.45 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 178.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 55.5 t -59.37 -46.21 92.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.813 -0.631 . . . . 0.0 109.347 179.783 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 65.3 tttm -60.82 -48.4 81.97 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.755 -0.657 . . . . 0.0 109.815 179.696 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 47.9 ttp -62.86 -40.6 97.96 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.616 -0.72 . . . . 0.0 109.505 178.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 145' ' ' MET . . . . . 0.427 ' O ' ' CG2' ' A' ' 148' ' ' VAL . 36.6 ttm -62.12 -39.19 91.7 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 114.607 -1.178 . . . . 0.0 109.798 179.635 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 146' ' ' MET . . . . . 0.536 ' C ' ' H ' ' A' ' 148' ' ' VAL . 57.1 mmm -64.79 -38.03 89.6 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.192 179.668 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 14.6 m -44.46 -14.57 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.967 0.413 . . . . 0.0 110.983 -179.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 148' ' ' VAL . . . . . 0.536 ' H ' ' C ' ' A' ' 146' ' ' MET . 4.6 m -80.67 -8.89 11.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.47 -179.593 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 72.7 ttp85 . . . . . 0 C--O 1.22 -0.454 0 CA-C-O 118.001 -0.999 . . . . 0.0 110.396 -179.83 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 221' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 234' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.494 ' CA ' ' OE1' ' A' ' 83' ' ' GLU . 98.6 m-20 . . . . . 0 N--CA 1.49 1.564 0 N-CA-C 110.098 -0.334 . . . . 0.0 110.098 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -55.83 -49.26 73.75 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 120.309 -0.556 . . . . 0.0 109.969 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -60.81 -30.16 69.91 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 120.658 -0.417 . . . . 0.0 110.77 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.528 ' N ' ' OE1' ' A' ' 83' ' ' GLU . 54.5 mp0 -71.9 -66.56 0.62 Allowed 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.241 -0.651 . . . . 0.0 109.241 178.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 75.8 mt-10 -46.18 -47.76 17.65 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 120.62 -0.432 . . . . 0.0 110.349 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.91 -45.31 94.29 Favored 'General case' 0 N--CA 1.452 -0.342 0 C-N-CA 120.09 -0.644 . . . . 0.0 110.369 -179.71 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 64.0 tttm -62.26 -41.01 98.07 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.46 -0.496 . . . . 0.0 110.313 179.765 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -67.39 -53.16 31.67 Favored 'General case' 0 N--CA 1.452 -0.367 0 C-N-CA 120.623 -0.431 . . . . 0.0 110.466 179.569 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -52.47 -45.63 66.19 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.411 -0.516 . . . . 0.0 110.208 -179.654 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 36.5 t80 -57.02 -44.57 83.0 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.024 179.429 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 64.9 mmtt -60.3 -32.61 71.38 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.745 -0.382 . . . . 0.0 110.896 179.357 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 98.9 t -70.18 -48.23 62.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 C-N-CA 120.528 -0.469 . . . . 0.0 110.74 179.439 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -63.47 -33.84 76.46 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.556 -0.458 . . . . 0.0 110.249 179.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.532 ' OD2' ' N ' ' A' ' 98' ' ' GLY . 21.3 t0 -70.22 66.22 0.28 Allowed 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 120.561 -0.456 . . . . 0.0 110.629 -179.446 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -48.84 -47.76 42.33 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.347 -0.541 . . . . 0.0 110.186 -179.229 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -73.82 -6.73 48.88 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 120.856 -0.337 . . . . 0.0 110.213 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . 0.441 ' N ' ' O ' ' A' ' 93' ' ' ASP . 6.2 tt0 49.18 36.88 9.85 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.018 -179.489 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 53.6 p-10 -92.77 3.43 55.66 Favored 'General case' 0 N--CA 1.464 0.251 0 C-N-CA 120.739 -0.384 . . . . 0.0 111.345 -179.085 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . 0.532 ' N ' ' OD2' ' A' ' 93' ' ' ASP . . . 88.0 -9.63 73.85 Favored Glycine 0 CA--C 1.525 0.717 0 N-CA-C 111.395 -0.682 . . . . 0.0 111.395 179.57 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 60.7 m-85 -127.29 133.3 50.16 Favored 'General case' 0 N--CA 1.467 0.417 0 N-CA-C 110.273 -0.269 . . . . 0.0 110.273 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 38.7 mt -84.23 129.06 38.27 Favored 'Isoleucine or valine' 0 C--O 1.237 0.402 0 N-CA-C 108.936 -0.764 . . . . 0.0 108.936 179.062 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.5 m -96.04 154.1 17.42 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.592 -179.547 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -50.16 -40.66 47.34 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.346 -0.541 . . . . 0.0 110.22 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 78.1 p -64.73 -36.28 83.79 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.723 -0.391 . . . . 0.0 110.577 179.42 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 85.5 mt-10 -69.15 -42.03 76.51 Favored 'General case' 0 N--CA 1.444 -0.756 0 C-N-CA 120.563 -0.455 . . . . 0.0 109.996 179.029 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 27.8 tp -66.78 -40.77 88.31 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-O 121.128 0.49 . . . . 0.0 109.685 178.809 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 36.1 ttt85 -58.71 -49.97 75.62 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.258 -0.577 . . . . 0.0 109.766 179.349 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 11.7 t-160 -54.18 -41.09 68.16 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 -179.764 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 86.2 t -65.63 -42.78 93.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 C-N-CA 120.605 -0.438 . . . . 0.0 110.228 178.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 19.8 mmt -59.54 -44.08 93.31 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.647 -0.421 . . . . 0.0 110.331 -179.212 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 1.7 mp -65.0 -42.68 95.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 C-N-CA 120.518 -0.473 . . . . 0.0 110.182 177.785 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 19.8 t-20 -59.17 -33.59 71.11 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 -179.354 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 8.7 mp -81.0 -2.48 48.1 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.17 179.426 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 83.92 17.76 64.73 Favored Glycine 0 CA--C 1.526 0.763 0 N-CA-C 111.024 -0.831 . . . . 0.0 111.024 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -121.27 135.64 55.09 Favored 'General case' 0 N--CA 1.467 0.41 0 N-CA-C 109.666 -0.494 . . . . 0.0 109.666 179.595 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 39.5 pttt -140.27 119.12 12.52 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-O 120.738 0.304 . . . . 0.0 110.392 -179.609 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . 0.618 ' N ' ' CD2' ' A' ' 116' ' ' LEU . 0.9 OUTLIER -105.17 157.5 17.23 Favored 'General case' 0 N--CA 1.466 0.341 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 -179.967 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 19.9 p -63.99 164.51 10.37 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.064 -0.654 . . . . 0.0 109.347 -179.407 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 54.3 t0 -62.41 -40.35 96.23 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.378 -0.529 . . . . 0.0 110.564 -179.486 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -62.17 -33.72 75.05 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 120.687 -0.405 . . . . 0.0 110.667 -179.767 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 72.9 mm-40 -70.39 -45.29 66.28 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 120.512 -0.475 . . . . 0.0 110.514 179.14 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 74.8 t -63.26 -47.31 92.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 C-N-CA 120.46 -0.496 . . . . 0.0 110.15 179.68 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -57.29 -39.18 75.2 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 120.797 -0.361 . . . . 0.0 110.377 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 92.9 mt-30 -68.3 -39.13 82.16 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.732 -0.387 . . . . 0.0 110.768 179.216 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 90.1 mtp -62.64 -43.98 97.43 Favored 'General case' 0 N--CA 1.449 -0.497 0 C-N-CA 120.734 -0.386 . . . . 0.0 110.711 -179.447 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 9.6 mm -62.91 -48.2 89.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 C-N-CA 120.596 -0.442 . . . . 0.0 110.025 179.437 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 9.2 mtmp? -63.29 -44.31 95.4 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.992 179.708 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 71.5 mm-40 -68.01 -38.16 82.28 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.982 179.576 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -76.27 -28.95 57.26 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.167 -179.428 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 89.7 m-20 -75.16 114.73 14.0 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.211 0.529 . . . . 0.0 111.286 -179.276 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 57.7 tp -77.49 -29.07 52.4 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.716 -0.675 . . . . 0.0 111.28 179.712 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . 0.402 ' OD1' ' C ' ' A' ' 131' ' ' ASP . 41.2 p-10 -106.53 16.28 24.83 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 111.701 0.26 . . . . 0.0 111.701 -178.798 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 39.2 53.71 2.65 Favored Glycine 0 CA--C 1.53 0.985 0 C-N-CA 120.625 -0.798 . . . . 0.0 111.476 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . 0.511 ' OD1' ' N ' ' A' ' 135' ' ' GLN . 26.4 p30 -97.78 -15.84 20.12 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 117.009 0.405 . . . . 0.0 110.142 -179.691 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . 0.443 ' N ' ' OD1' ' A' ' 133' ' ' ASP . . . 97.29 -10.91 65.47 Favored Glycine 0 C--N 1.331 0.265 0 N-CA-C 110.319 -1.112 . . . . 0.0 110.319 179.66 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . 0.511 ' N ' ' OD1' ' A' ' 133' ' ' ASP . 4.6 mt-30 -118.22 134.98 54.54 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-O 120.578 0.228 . . . . 0.0 110.604 -178.736 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 89.0 t -80.05 121.84 34.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 N-CA-C 108.359 -0.978 . . . . 0.0 108.359 178.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 63.3 t30 -94.86 163.54 13.3 Favored 'General case' 0 N--CA 1.469 0.516 0 N-CA-C 110.1 -0.333 . . . . 0.0 110.1 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 43.5 t80 -45.72 -52.39 11.05 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.59 -0.444 . . . . 0.0 111.004 -178.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 38.5 tp10 -58.04 -42.55 85.61 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.76 -0.376 . . . . 0.0 111.092 -179.31 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 55.6 mt-10 -66.13 -41.75 90.04 Favored 'General case' 0 C--N 1.324 -0.512 0 C-N-CA 120.196 -0.602 . . . . 0.0 110.317 179.793 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 61.4 t80 -61.87 -50.82 70.7 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 179.198 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 53.6 t -59.47 -45.34 93.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 N-CA-C 109.138 -0.689 . . . . 0.0 109.138 179.698 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 63.9 tttp -60.89 -49.71 76.36 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.943 179.617 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 59.7 ttp -60.73 -39.24 87.88 Favored 'General case' 0 CA--C 1.515 -0.383 0 CA-C-O 121.431 0.634 . . . . 0.0 109.354 179.176 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 145' ' ' MET . . . . . 0.431 ' O ' ' N ' ' A' ' 149' ' ' ARG . 42.1 ttm -66.03 -38.77 89.25 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 115.136 -0.938 . . . . 0.0 110.098 179.736 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 78.5 mmm -62.15 -39.82 93.9 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.861 -0.422 . . . . 0.0 109.861 179.436 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 71.2 m -58.09 -72.77 0.09 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.38 -179.756 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 12.7 m -62.54 -27.71 43.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.366 179.755 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 149' ' ' ARG . . . . . 0.431 ' N ' ' O ' ' A' ' 145' ' ' MET . 61.1 ttp180 . . . . . 0 C--O 1.221 -0.43 0 CA-C-O 118.031 -0.985 . . . . 0.0 110.565 179.626 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 221' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 234' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 . . . . . 0 N--CA 1.489 1.484 0 N-CA-C 110.05 -0.352 . . . . 0.0 110.05 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -55.92 -47.89 76.67 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.406 -0.518 . . . . 0.0 109.937 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -65.57 -38.75 90.45 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.96 0.41 . . . . 0.0 110.576 -179.772 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -64.12 -71.41 0.18 Allowed 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 179.135 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -43.95 -37.29 2.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.602 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 51.0 tp -60.59 -43.97 96.77 Favored 'General case' 0 C--N 1.331 -0.202 0 C-N-CA 120.284 -0.566 . . . . 0.0 110.114 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 60.0 mmtt -62.18 -39.14 91.71 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 120.471 -0.492 . . . . 0.0 110.406 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 38.5 tp10 -70.59 -48.84 53.24 Favored 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 120.476 -0.49 . . . . 0.0 109.988 179.504 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -55.79 -47.88 76.31 Favored 'General case' 0 C--N 1.319 -0.751 0 C-N-CA 120.261 -0.576 . . . . 0.0 110.367 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 54.6 t80 -57.06 -45.09 83.49 Favored 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 120.782 -0.367 . . . . 0.0 110.55 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.436 ' HG3' ' N ' ' A' ' 91' ' ' VAL . 0.0 OUTLIER -60.01 -29.53 68.55 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.232 0.539 . . . . 0.0 111.174 -179.909 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.436 ' N ' ' HG3' ' A' ' 90' ' ' LYS . 54.0 t -70.48 -46.71 69.3 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.207 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.262 -179.093 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -62.96 -30.9 71.93 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.251 179.297 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.548 ' OD2' ' N ' ' A' ' 98' ' ' GLY . 18.0 t0 -72.46 66.83 0.71 Allowed 'General case' 0 C--N 1.322 -0.623 0 C-N-CA 120.668 -0.413 . . . . 0.0 110.784 -179.39 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 75.7 tttt -51.78 -47.58 64.12 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.322 -0.551 . . . . 0.0 109.999 -179.417 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . 0.439 ' OD2' ' OE2' ' A' ' 104' ' ' GLU . 4.6 m-20 -72.94 -6.22 43.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.96 0.41 . . . . 0.0 110.054 -179.629 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 47.9 tt0 49.9 33.05 6.06 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.082 -0.508 . . . . 0.0 109.841 -179.613 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 48.9 p-10 -90.5 3.93 52.57 Favored 'General case' 0 C--N 1.329 -0.314 0 O-C-N 122.07 -0.394 . . . . 0.0 111.09 -179.147 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . 0.548 ' N ' ' OD2' ' A' ' 93' ' ' ASP . . . 83.35 -0.38 89.7 Favored Glycine 0 CA--C 1.527 0.84 0 N-CA-C 111.414 -0.674 . . . . 0.0 111.414 179.591 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 48.3 m-85 -133.11 138.14 46.57 Favored 'General case' 0 N--CA 1.469 0.475 0 N-CA-C 110.306 -0.257 . . . . 0.0 110.306 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 15.8 mt -90.61 126.63 43.38 Favored 'Isoleucine or valine' 0 C--O 1.239 0.522 0 N-CA-C 108.943 -0.762 . . . . 0.0 108.943 178.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 24.8 p -98.59 159.65 14.81 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.783 -179.447 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -53.76 -41.96 67.71 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.392 -0.523 . . . . 0.0 109.768 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' SER . . . . . 0.508 ' O ' ' ND1' ' A' ' 107' ' ' HIS . 77.2 p -58.58 -40.69 83.84 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-O 121.078 0.465 . . . . 0.0 110.327 179.8 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.439 ' OE2' ' OD2' ' A' ' 95' ' ' ASP . 95.5 mt-10 -73.12 -39.93 65.34 Favored 'General case' 0 N--CA 1.444 -0.735 0 C-N-CA 120.572 -0.451 . . . . 0.0 110.738 178.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 39.2 tp -62.46 -44.34 96.64 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-O 120.863 0.364 . . . . 0.0 111.295 -179.72 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . 0.402 ' HG3' ' N ' ' A' ' 107' ' ' HIS . 19.1 ptp180 -64.96 -43.59 92.17 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.504 -0.479 . . . . 0.0 110.108 179.596 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . 0.508 ' ND1' ' O ' ' A' ' 103' ' ' SER . 37.5 m170 -57.64 -44.52 85.67 Favored 'General case' 0 N--CA 1.452 -0.33 0 C-N-CA 120.49 -0.484 . . . . 0.0 109.815 -179.697 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 96.5 t -65.9 -42.78 92.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.272 179.327 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 3.6 mmt -62.62 -43.22 99.36 Favored 'General case' 0 C--N 1.332 -0.186 0 C-N-CA 120.543 -0.463 . . . . 0.0 110.361 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 94.2 mt -63.07 -44.65 99.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 C-N-CA 120.479 -0.489 . . . . 0.0 109.726 179.578 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 28.8 t30 -60.86 -28.61 68.98 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.728 -0.471 . . . . 0.0 109.728 179.564 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -82.42 -1.81 51.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.066 -179.858 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 87.94 13.15 64.95 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -116.02 127.58 55.02 Favored 'General case' 0 N--CA 1.467 0.42 0 N-CA-C 109.866 -0.42 . . . . 0.0 109.866 179.401 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 19.6 pttm -136.67 114.79 11.54 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-O 121.014 0.435 . . . . 0.0 110.53 -179.773 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 60.6 mt -109.01 163.92 12.88 Favored 'General case' 0 N--CA 1.466 0.351 0 N-CA-C 109.553 -0.536 . . . . 0.0 109.553 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 72.3 p -71.3 167.74 18.85 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . 0.534 ' OD1' ' N ' ' A' ' 119' ' ' GLU . 40.3 p-10 -64.41 -42.62 95.99 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.424 -0.51 . . . . 0.0 110.905 -179.76 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . 0.534 ' N ' ' OD1' ' A' ' 118' ' ' ASP . 96.8 mt-10 -58.22 -33.26 69.12 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.813 0.34 . . . . 0.0 110.747 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -73.9 -46.77 42.44 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 120.515 -0.474 . . . . 0.0 110.312 178.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 69.5 t -65.63 -43.99 93.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.076 179.475 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -63.21 -39.51 94.83 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.714 -0.394 . . . . 0.0 110.388 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 78.4 mm-40 -69.23 -41.22 77.31 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.682 -0.407 . . . . 0.0 110.503 179.238 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 45.7 ttp -65.03 -42.29 94.47 Favored 'General case' 0 N--CA 1.45 -0.458 0 C-N-CA 120.97 -0.292 . . . . 0.0 110.316 179.538 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 4.7 mm -64.27 -47.44 89.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 121.311 0.577 . . . . 0.0 109.781 179.64 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 54.7 mtpt -64.57 -39.88 94.54 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.811 179.384 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 75.9 tt0 -73.88 -35.83 64.75 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.818 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -75.44 -29.05 59.57 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.321 -179.343 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . 0.506 ' OD2' ' N ' ' A' ' 133' ' ' ASP . 28.7 t0 -70.87 110.8 5.83 Favored 'General case' 0 CA--C 1.509 -0.607 0 CA-C-O 121.215 0.531 . . . . 0.0 111.893 -179.16 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . 0.451 ' H ' ' CD ' ' A' ' 140' ' ' GLU . 51.6 tp -88.45 -26.44 22.1 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.409 -0.814 . . . . 0.0 111.35 179.365 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 44.1 m-20 -79.94 -10.61 59.79 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 120.921 -0.311 . . . . 0.0 111.553 -178.499 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 70.99 22.02 78.38 Favored Glycine 0 CA--C 1.527 0.789 0 C-N-CA 120.551 -0.833 . . . . 0.0 111.213 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . 0.506 ' N ' ' OD2' ' A' ' 129' ' ' ASP . 37.6 p-10 -95.02 -12.41 26.67 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-O 120.91 0.386 . . . . 0.0 110.39 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 85.34 11.27 75.76 Favored Glycine 0 C--N 1.331 0.287 0 N-CA-C 110.531 -1.028 . . . . 0.0 110.531 179.773 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 9.1 mt-30 -121.71 146.6 46.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.896 0.379 . . . . 0.0 110.382 -178.597 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 6.4 t -87.67 117.32 31.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 N-CA-C 108.158 -1.052 . . . . 0.0 108.158 178.431 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 58.2 t30 -103.41 169.75 8.35 Favored 'General case' 0 N--CA 1.468 0.44 0 N-CA-C 109.965 -0.383 . . . . 0.0 109.965 179.325 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 69.2 t80 -45.65 -52.12 11.25 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 120.936 -0.306 . . . . 0.0 110.967 -178.753 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 83.1 tt0 -60.48 -45.07 95.08 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 120.841 -0.343 . . . . 0.0 111.21 -179.454 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . 0.451 ' CD ' ' H ' ' A' ' 130' ' ' LEU . 57.8 mt-10 -67.0 -43.36 83.14 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 120.181 -0.608 . . . . 0.0 110.493 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . 0.481 ' O ' ' N ' ' A' ' 145' ' ' MET . 55.9 t80 -60.64 -49.54 77.09 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.176 -0.676 . . . . 0.0 109.176 179.357 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 35.3 t -60.09 -46.52 94.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 179.322 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 26.4 tptp -62.97 -48.59 78.2 Favored 'General case' 0 N--CA 1.444 -0.731 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.376 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 144' ' ' MET . . . . . 0.446 ' C ' ' SD ' ' A' ' 144' ' ' MET . 9.0 tmm? -66.72 -43.09 85.19 Favored 'General case' 0 CA--C 1.51 -0.558 0 CA-C-O 121.615 0.722 . . . . 0.0 110.03 178.92 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 145' ' ' MET . . . . . 0.481 ' N ' ' O ' ' A' ' 141' ' ' PHE . 11.4 tmm? -61.53 -37.84 85.24 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 114.739 -1.119 . . . . 0.0 109.916 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 146' ' ' MET . . . . . 0.503 ' O ' ' N ' ' A' ' 148' ' ' VAL . 15.2 mmt -71.05 -40.94 71.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.278 178.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 147' ' ' THR . . . . . 0.573 ' C ' ' H ' ' A' ' 149' ' ' ARG . 5.7 m -45.35 -15.4 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.017 0.437 . . . . 0.0 110.804 -179.383 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 148' ' ' VAL . . . . . 0.503 ' N ' ' O ' ' A' ' 146' ' ' MET . 10.6 m -66.14 11.98 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.855 -179.894 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 149' ' ' ARG . . . . . 0.573 ' H ' ' C ' ' A' ' 147' ' ' THR . 85.1 mtp180 . . . . . 0 C--O 1.22 -0.458 0 CA-C-O 117.885 -1.055 . . . . 0.0 110.273 179.553 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 221' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 234' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 48.2 t0 . . . . . 0 N--CA 1.493 1.716 0 N-CA-C 109.813 -0.439 . . . . 0.0 109.813 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -49.42 -46.11 47.18 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 120.271 -0.572 . . . . 0.0 109.846 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.425 ' OE1' ' O ' ' A' ' 82' ' ' GLU . 2.9 tm-20 -63.88 -33.39 75.58 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 120.779 -0.369 . . . . 0.0 110.554 179.431 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -68.45 -68.46 0.39 Allowed 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.045 -0.724 . . . . 0.0 109.045 178.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -44.55 -36.33 2.95 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.571 -0.452 . . . . 0.0 110.509 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 31.6 mt -62.97 -44.69 95.35 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.343 -0.543 . . . . 0.0 110.589 179.563 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 24.3 mtpp -62.6 -41.16 98.81 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.38 -0.528 . . . . 0.0 110.357 179.18 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 83.3 tt0 -72.3 -49.9 31.11 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.607 -0.437 . . . . 0.0 110.112 179.501 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -53.86 -46.46 71.29 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 120.285 -0.566 . . . . 0.0 110.075 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 69.9 t80 -60.32 -43.21 96.6 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.035 179.153 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 65.0 tttm -61.27 -32.12 71.94 Favored 'General case' 0 C--N 1.332 -0.193 0 C-N-CA 120.885 -0.326 . . . . 0.0 110.493 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 84.6 t -78.25 -31.96 16.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 C-N-CA 120.638 -0.425 . . . . 0.0 110.505 179.339 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -65.91 -35.55 80.92 Favored 'General case' 0 C--N 1.331 -0.199 0 C-N-CA 120.391 -0.524 . . . . 0.0 110.445 179.712 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.539 ' OD2' ' N ' ' A' ' 98' ' ' GLY . 10.7 t0 -76.14 75.68 2.98 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 120.307 -0.557 . . . . 0.0 111.05 -179.116 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.452 ' HZ2' ' ND1' ' A' ' 107' ' ' HIS . 53.7 mtpt -51.8 -46.5 64.26 Favored 'General case' 0 C--N 1.333 -0.142 0 C-N-CA 120.331 -0.548 . . . . 0.0 110.01 -179.855 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -71.4 -4.88 28.77 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.943 0.401 . . . . 0.0 109.93 179.81 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . 0.43 ' N ' ' OD1' ' A' ' 93' ' ' ASP . 35.4 tt0 50.84 29.1 4.09 Favored 'General case' 0 C--N 1.324 -0.512 0 C-N-CA 120.541 -0.464 . . . . 0.0 110.081 -179.798 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 51.4 p-10 -84.58 0.01 51.57 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 122.037 -0.414 . . . . 0.0 111.031 -179.36 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . 0.539 ' N ' ' OD2' ' A' ' 93' ' ' ASP . . . 86.86 -9.36 72.22 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.421 ' N ' ' OD2' ' A' ' 93' ' ' ASP . 33.0 m-85 -127.2 133.67 50.23 Favored 'General case' 0 N--CA 1.469 0.52 0 N-CA-C 110.185 -0.302 . . . . 0.0 110.185 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.436 ' O ' ' NE2' ' A' ' 135' ' ' GLN . 20.7 mt -82.96 128.43 38.73 Favored 'Isoleucine or valine' 0 C--O 1.233 0.19 0 N-CA-C 109.035 -0.728 . . . . 0.0 109.035 179.102 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 6.9 p -95.85 153.06 17.94 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.637 -179.513 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -49.68 -39.67 37.33 Favored 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 120.333 -0.547 . . . . 0.0 109.901 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 67.7 m -61.54 -39.02 89.57 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-O 120.876 0.37 . . . . 0.0 110.613 179.084 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 90.7 mt-10 -70.62 -42.08 71.39 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 120.583 -0.447 . . . . 0.0 110.396 179.509 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.481 ' CD1' ' C ' ' A' ' 105' ' ' LEU . 2.8 tm? -64.62 -44.02 91.87 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-O 121.443 0.639 . . . . 0.0 110.097 178.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 9.4 tpt180 -61.61 -46.83 88.15 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 120.236 -0.585 . . . . 0.0 109.973 179.693 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . 0.452 ' ND1' ' HZ2' ' A' ' 94' ' ' LYS . 11.8 t-160 -53.93 -39.79 66.17 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 120.486 -0.486 . . . . 0.0 109.829 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 74.7 t -61.63 -42.88 95.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 C-N-CA 120.732 -0.387 . . . . 0.0 110.093 179.057 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' MET . . . . . 0.564 ' SD ' ' N ' ' A' ' 109' ' ' MET . 0.0 OUTLIER -58.95 -41.25 86.99 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.565 -0.454 . . . . 0.0 110.361 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 12.8 mm -64.18 -44.56 97.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 179.083 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 7.1 t-20 -59.25 -33.45 71.04 Favored 'General case' 0 C--N 1.331 -0.209 0 C-N-CA 120.712 -0.395 . . . . 0.0 109.943 179.725 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 8.6 mp -80.98 -4.36 54.79 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.868 179.328 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 82.66 20.54 61.52 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -113.04 129.42 56.51 Favored 'General case' 0 N--CA 1.467 0.392 0 N-CA-C 109.643 -0.503 . . . . 0.0 109.643 179.635 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 16.2 pttm -129.73 108.63 10.33 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-O 120.79 0.328 . . . . 0.0 110.239 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 5.0 mp -110.88 160.0 17.18 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 179.719 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 6.6 p -69.15 161.62 28.75 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.066 -0.653 . . . . 0.0 109.602 -179.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -62.06 -39.03 91.0 Favored 'General case' 0 C--N 1.331 -0.205 0 C-N-CA 120.421 -0.512 . . . . 0.0 110.669 179.79 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 77.3 mt-10 -56.34 -38.48 71.42 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.654 -0.418 . . . . 0.0 110.516 179.781 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -70.47 -46.55 63.56 Favored 'General case' 0 N--CA 1.448 -0.533 0 C-N-CA 120.465 -0.494 . . . . 0.0 110.111 179.294 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 70.2 t -63.28 -48.75 85.99 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 C-N-CA 120.321 -0.552 . . . . 0.0 110.186 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -56.0 -37.36 69.02 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.625 -0.43 . . . . 0.0 110.274 179.66 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 65.7 tp60 -67.54 -41.03 84.95 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 120.492 -0.483 . . . . 0.0 110.4 179.114 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 39.1 ttp -64.54 -44.53 90.52 Favored 'General case' 0 N--CA 1.449 -0.497 0 C-N-CA 120.794 -0.363 . . . . 0.0 110.424 -179.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 7.9 mm -62.42 -48.59 87.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 121.064 0.459 . . . . 0.0 109.825 179.173 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 27.1 mmtp -63.75 -43.18 97.21 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.761 179.458 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 76.0 tt0 -68.81 -36.18 77.91 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.804 179.778 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -78.45 -29.08 46.72 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.033 -179.362 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 82.6 m-20 -79.91 124.16 28.42 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 120.368 -0.533 . . . . 0.0 111.466 -179.132 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 2.3 pp -85.69 -17.27 36.47 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.247 179.559 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 38.7 p30 -113.97 14.35 18.42 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.988 -0.285 . . . . 0.0 111.53 -179.341 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 41.47 32.65 0.8 Allowed Glycine 0 CA--C 1.53 1.015 0 C-N-CA 120.317 -0.944 . . . . 0.0 111.219 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . 0.555 ' OD1' ' N ' ' A' ' 134' ' ' GLY . 48.5 p30 -75.42 -19.85 59.24 Favored 'General case' 0 N--CA 1.462 0.167 0 C-N-CA 120.49 -0.484 . . . . 0.0 110.391 179.816 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . 0.555 ' N ' ' OD1' ' A' ' 133' ' ' ASP . . . 96.66 -6.83 65.23 Favored Glycine 0 C--N 1.331 0.259 0 N-CA-C 110.336 -1.106 . . . . 0.0 110.336 179.538 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . 0.436 ' NE2' ' O ' ' A' ' 100' ' ' ILE . 21.2 mm100 -117.38 131.37 56.79 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-O 120.544 0.212 . . . . 0.0 110.475 -178.854 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 86.4 t -80.82 118.56 28.79 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.241 0 N-CA-C 108.37 -0.974 . . . . 0.0 108.37 178.706 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 65.4 t30 -94.32 170.01 9.81 Favored 'General case' 0 N--CA 1.47 0.53 0 N-CA-C 110.042 -0.355 . . . . 0.0 110.042 179.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 83.7 t80 -51.8 -49.29 63.05 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.576 -0.45 . . . . 0.0 111.01 -178.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 39.8 tp10 -56.98 -45.01 83.23 Favored 'General case' 0 CA--C 1.519 -0.218 0 O-C-N 122.054 -0.404 . . . . 0.0 111.115 -179.488 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -67.83 -38.81 83.7 Favored 'General case' 0 C--N 1.316 -0.891 0 C-N-CA 120.159 -0.617 . . . . 0.0 110.04 179.263 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . 0.471 ' O ' ' N ' ' A' ' 145' ' ' MET . 70.0 t80 -62.25 -50.77 70.4 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 108.776 -0.824 . . . . 0.0 108.776 179.071 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 55.5 t -59.5 -47.52 90.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 179.422 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 3.2 tppp? -61.86 -48.62 79.69 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.725 179.034 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 55.5 ttp -63.17 -40.37 97.35 Favored 'General case' 0 CA--C 1.513 -0.464 0 CA-C-O 121.53 0.681 . . . . 0.0 109.326 178.599 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 145' ' ' MET . . . . . 0.471 ' N ' ' O ' ' A' ' 141' ' ' PHE . 28.1 tpp -63.95 -39.86 95.1 Favored 'General case' 0 N--CA 1.444 -0.761 0 CA-C-N 115.36 -0.836 . . . . 0.0 109.679 -179.395 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 86.5 mtp -62.15 -38.78 90.29 Favored 'General case' 0 N--CA 1.451 -0.402 0 N-CA-C 110.044 -0.354 . . . . 0.0 110.044 179.323 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 73.1 m -58.85 -72.54 0.1 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.682 -179.774 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 18.8 m -62.92 -41.29 92.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.188 179.629 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 149' ' ' ARG . . . . . 0.426 ' HE ' ' HA ' ' A' ' 149' ' ' ARG . 1.1 mmp_? . . . . . 0 C--O 1.221 -0.433 0 CA-C-O 117.996 -1.002 . . . . 0.0 110.602 179.487 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 221' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 234' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.576 ' CG ' ' H ' ' A' ' 81' ' ' ALA . 4.2 p-10 . . . . . 0 N--CA 1.49 1.558 0 N-CA-C 109.972 -0.381 . . . . 0.0 109.972 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.576 ' H ' ' CG ' ' A' ' 80' ' ' ASP . . . -45.8 -44.89 14.41 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.759 -0.46 . . . . 0.0 109.759 -179.727 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 5.0 tm-20 -65.43 -38.98 91.52 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.677 -0.409 . . . . 0.0 110.688 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 83.2 tt0 -64.32 -70.6 0.21 Allowed 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 108.922 -0.77 . . . . 0.0 108.922 179.191 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -43.79 -35.13 1.78 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.477 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 56.5 tp -61.9 -44.67 96.33 Favored 'General case' 0 C--N 1.332 -0.194 0 C-N-CA 120.383 -0.527 . . . . 0.0 110.26 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 53.3 mtpt -62.49 -40.53 96.99 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 120.416 -0.514 . . . . 0.0 110.349 179.753 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 81.6 tt0 -67.68 -50.81 55.83 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.606 -0.437 . . . . 0.0 109.943 179.441 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -52.72 -45.39 66.93 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 179.769 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 62.8 t80 -55.5 -45.32 77.08 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.787 -0.449 . . . . 0.0 109.787 179.539 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 28.4 mmtp -60.11 -32.8 71.33 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.769 179.701 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 97.3 t -68.55 -48.07 73.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 C-N-CA 120.483 -0.487 . . . . 0.0 110.716 179.489 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -63.29 -33.2 75.0 Favored 'General case' 0 N--CA 1.465 0.296 0 C-N-CA 120.787 -0.365 . . . . 0.0 110.167 179.65 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.439 ' OD2' ' N ' ' A' ' 98' ' ' GLY . 39.3 t0 -71.77 64.38 0.47 Allowed 'General case' 0 C--N 1.324 -0.541 0 C-N-CA 120.681 -0.408 . . . . 0.0 110.677 -179.403 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 58.4 tttm -52.08 -48.31 64.76 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 120.383 -0.527 . . . . 0.0 109.947 -179.217 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . 0.414 ' OD2' ' OE2' ' A' ' 104' ' ' GLU . 7.5 m-20 -67.37 -7.94 28.76 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.045 0.45 . . . . 0.0 109.891 -179.833 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 99.0 mt-30 49.8 36.95 12.16 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.232 -179.597 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . 0.408 ' OD1' ' O ' ' A' ' 99' ' ' TYR . 35.9 p-10 -96.39 7.0 47.57 Favored 'General case' 0 N--CA 1.465 0.298 0 C-N-CA 121.073 -0.251 . . . . 0.0 111.317 -179.402 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . 0.439 ' N ' ' OD2' ' A' ' 93' ' ' ASP . . . 82.0 -9.0 58.68 Favored Glycine 0 CA--C 1.527 0.8 0 N-CA-C 111.356 -0.698 . . . . 0.0 111.356 179.427 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.408 ' O ' ' OD1' ' A' ' 97' ' ' ASN . 30.2 m-85 -128.39 135.26 49.3 Favored 'General case' 0 N--CA 1.469 0.485 0 N-CA-C 110.161 -0.311 . . . . 0.0 110.161 -179.83 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 31.9 mt -82.91 129.07 38.07 Favored 'Isoleucine or valine' 0 C--O 1.235 0.33 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 179.047 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 17.0 t -95.34 160.37 14.56 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.615 -179.246 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -56.87 -43.85 81.64 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 120.329 -0.548 . . . . 0.0 109.855 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 67.4 m -56.71 -39.02 73.14 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-O 120.931 0.395 . . . . 0.0 110.408 179.75 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.414 ' OE2' ' OD2' ' A' ' 95' ' ' ASP . 95.5 mt-10 -71.82 -35.72 70.0 Favored 'General case' 0 N--CA 1.444 -0.762 0 C-N-CA 120.753 -0.379 . . . . 0.0 110.564 179.48 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.37 -43.95 96.06 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-O 121.123 0.487 . . . . 0.0 110.124 -179.09 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 8.9 ptm180 -71.0 -38.94 72.67 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 120.441 -0.504 . . . . 0.0 110.108 179.461 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 58.5 t-80 -58.02 -42.46 85.31 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 179.799 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 78.5 t -65.05 -43.19 95.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.241 -0.436 . . . . 0.0 109.99 178.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 20.9 mmt -60.77 -40.98 94.55 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.59 -0.444 . . . . 0.0 110.068 -179.665 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 97.6 mt -65.07 -44.3 95.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 C-N-CA 120.648 -0.421 . . . . 0.0 109.952 179.112 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 25.0 t30 -60.43 -31.41 70.38 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.226 -0.443 . . . . 0.0 109.994 179.705 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 8.1 mp -82.8 -1.86 52.93 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.008 179.479 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 84.49 20.39 58.59 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 75.1 mt-10 -115.72 130.35 56.82 Favored 'General case' 0 N--CA 1.466 0.338 0 N-CA-C 109.666 -0.494 . . . . 0.0 109.666 179.677 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 4.9 ptpp? -126.91 108.56 11.09 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-O 120.914 0.388 . . . . 0.0 110.071 179.778 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 55.5 mt -108.4 153.81 22.75 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 109.607 -0.516 . . . . 0.0 109.607 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 72.3 p -70.45 164.54 24.45 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -62.39 -37.96 87.76 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.348 -0.541 . . . . 0.0 110.507 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -57.66 -36.92 72.54 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 120.635 -0.426 . . . . 0.0 110.545 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 -71.94 -48.06 47.95 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.477 -0.489 . . . . 0.0 110.164 179.054 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 81.6 t -62.25 -48.3 89.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 C-N-CA 120.652 -0.419 . . . . 0.0 109.929 179.61 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 83.9 tt0 -58.02 -37.08 73.66 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.68 -0.408 . . . . 0.0 110.097 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 65.7 tt0 -68.96 -40.6 78.79 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 120.622 -0.431 . . . . 0.0 110.553 179.258 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 44.0 ttm -63.39 -43.96 96.06 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-O 120.743 0.306 . . . . 0.0 110.485 -179.677 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 7.2 mm -62.72 -48.21 89.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 121.203 0.525 . . . . 0.0 109.772 179.493 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 42.6 mmtm -65.48 -44.32 87.49 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.972 179.601 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 36.4 tp10 -68.94 -36.25 77.73 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.725 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -78.9 -30.28 44.8 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.188 -179.187 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 86.3 m-20 -76.28 119.49 20.25 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.206 0.527 . . . . 0.0 111.395 -179.208 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 6.7 tt -79.08 -24.72 43.31 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.239 179.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . 0.411 ' O ' ' C ' ' A' ' 132' ' ' GLY . 45.3 p-10 -113.82 15.42 18.64 Favored 'General case' 0 N--CA 1.469 0.486 0 N-CA-C 111.576 0.213 . . . . 0.0 111.576 -178.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . 0.411 ' C ' ' O ' ' A' ' 131' ' ' ASP . . . 39.3 39.28 1.04 Allowed Glycine 0 CA--C 1.53 0.989 0 N-CA-C 111.189 -0.764 . . . . 0.0 111.189 179.698 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . 0.483 ' OD1' ' N ' ' A' ' 135' ' ' GLN . 19.8 p30 -78.3 -17.49 56.53 Favored 'General case' 0 N--CA 1.461 0.121 0 O-C-N 122.504 -0.409 . . . . 0.0 110.399 -179.87 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . 0.444 ' N ' ' OD1' ' A' ' 133' ' ' ASP . . . 97.92 -10.24 64.05 Favored Glycine 0 C--N 1.331 0.254 0 N-CA-C 110.196 -1.162 . . . . 0.0 110.196 179.583 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . 0.483 ' N ' ' OD1' ' A' ' 133' ' ' ASP . 8.8 mt-30 -118.48 131.7 56.25 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-O 120.668 0.271 . . . . 0.0 110.313 -178.797 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 52.9 t -81.19 121.48 34.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 N-CA-C 108.485 -0.932 . . . . 0.0 108.485 178.65 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 65.4 t30 -98.42 166.36 11.4 Favored 'General case' 0 N--CA 1.469 0.489 0 N-CA-C 110.124 -0.324 . . . . 0.0 110.124 179.463 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 85.5 t80 -51.24 -44.16 61.65 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.788 -0.365 . . . . 0.0 111.096 -178.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -58.24 -45.76 87.17 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.041 0.448 . . . . 0.0 110.896 -179.317 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -69.29 -38.52 78.34 Favored 'General case' 0 C--N 1.317 -0.805 0 C-N-CA 120.062 -0.655 . . . . 0.0 110.035 179.623 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 36.9 t80 -63.37 -56.5 15.8 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.287 -0.565 . . . . 0.0 110.081 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . 0.452 ' CG1' ' N ' ' A' ' 143' ' ' LYS . 7.8 p -58.18 -43.82 86.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 -179.333 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 143' ' ' LYS . . . . . 0.452 ' N ' ' CG1' ' A' ' 142' ' ' VAL . 64.9 tttp -62.9 -50.0 72.57 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.048 179.123 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 51.9 ttp -61.84 -39.52 92.12 Favored 'General case' 0 CA--C 1.512 -0.516 0 CA-C-O 121.632 0.729 . . . . 0.0 109.323 178.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 34.3 ttm -61.57 -39.88 92.74 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.006 -0.997 . . . . 0.0 109.706 179.771 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 146' ' ' MET . . . . . 0.456 ' C ' ' N ' ' A' ' 148' ' ' VAL . 84.8 mmm -64.32 -40.46 95.94 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.8 -0.36 . . . . 0.0 110.043 179.439 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 25.4 m -48.61 -15.4 0.08 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.418 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 148' ' ' VAL . . . . . 0.456 ' N ' ' C ' ' A' ' 146' ' ' MET . 41.2 t -78.42 -1.73 4.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.368 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 18.7 mmm180 . . . . . 0 C--O 1.22 -0.461 0 CA-C-O 118.002 -0.999 . . . . 0.0 110.486 179.788 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 221' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 234' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 . . . . . 0 N--CA 1.493 1.687 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -51.18 -48.37 61.96 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 120.244 -0.582 . . . . 0.0 109.812 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.415 ' OE1' ' O ' ' A' ' 82' ' ' GLU . 2.5 tm-20 -61.29 -33.81 74.17 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 120.77 -0.372 . . . . 0.0 110.638 179.457 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 13.9 tm-20 -67.61 -68.54 0.38 Allowed 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 179.176 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -46.03 -46.21 16.49 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.588 -0.445 . . . . 0.0 110.43 -179.804 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 76.4 mt -62.41 -44.85 95.45 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.267 -0.573 . . . . 0.0 110.323 179.559 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 64.5 tttp -63.0 -41.87 99.7 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 120.452 -0.499 . . . . 0.0 110.268 179.255 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 47.0 tp10 -68.39 -52.37 33.72 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 120.67 -0.412 . . . . 0.0 109.992 179.715 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -52.28 -45.37 65.45 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.389 -0.524 . . . . 0.0 109.877 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 54.4 t80 -57.81 -45.01 86.71 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.575 -0.45 . . . . 0.0 110.052 179.068 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -64.85 -34.21 77.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.74 0.305 . . . . 0.0 110.795 179.603 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 59.9 t -80.74 -33.36 13.41 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 C-N-CA 120.642 -0.423 . . . . 0.0 110.679 179.603 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -60.47 -34.11 73.55 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 120.215 -0.594 . . . . 0.0 110.51 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.554 ' OD2' ' N ' ' A' ' 97' ' ' ASN . 37.1 t0 -69.52 87.3 0.47 Allowed 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 120.261 -0.575 . . . . 0.0 111.053 -178.914 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 84.0 tttt -55.88 -52.89 62.48 Favored 'General case' 0 C--N 1.332 -0.157 0 C-N-CA 120.105 -0.638 . . . . 0.0 110.435 -179.2 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . 0.429 ' OD1' ' OD1' ' A' ' 93' ' ' ASP . 50.8 p30 -75.74 0.64 17.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.002 0.43 . . . . 0.0 110.336 -179.665 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 47.5 tp60 48.28 35.47 5.61 Favored 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 120.512 -0.475 . . . . 0.0 110.225 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . 0.554 ' N ' ' OD2' ' A' ' 93' ' ' ASP . 43.6 p-10 -79.0 -13.48 59.76 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 120.649 -0.42 . . . . 0.0 110.99 -179.399 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 97.46 0.23 59.55 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 111.236 -0.746 . . . . 0.0 111.236 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 25.4 m-85 -135.33 142.61 45.82 Favored 'General case' 0 C--O 1.222 -0.35 0 CA-C-N 116.847 0.324 . . . . 0.0 110.305 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 4.1 mm -82.34 115.15 24.37 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.159 0 N-CA-C 108.758 -0.83 . . . . 0.0 108.758 178.69 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 25.6 m -89.19 155.14 19.6 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.591 -179.34 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -58.56 -45.52 88.8 Favored 'General case' 0 C--N 1.332 -0.178 0 C-N-CA 120.294 -0.562 . . . . 0.0 110.305 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 52.2 m -59.96 -42.74 94.74 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 120.709 -0.396 . . . . 0.0 110.593 179.503 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -65.16 -35.98 82.78 Favored 'General case' 0 N--CA 1.447 -0.61 0 C-N-CA 120.47 -0.492 . . . . 0.0 110.179 179.468 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 32.7 tp -67.17 -41.92 85.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.267 0.556 . . . . 0.0 110.427 178.809 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 83.5 mtp180 -61.53 -48.76 79.54 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 120.206 -0.598 . . . . 0.0 109.959 -179.723 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 53.9 t-80 -54.59 -43.08 71.82 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.582 -0.447 . . . . 0.0 109.817 179.622 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 69.7 t -64.89 -41.85 93.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 C-N-CA 120.615 -0.434 . . . . 0.0 110.127 178.528 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 40.7 mtt -58.67 -42.47 88.57 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.462 -0.495 . . . . 0.0 110.403 -179.469 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 1.9 mp -66.97 -43.16 89.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-O 121.02 0.438 . . . . 0.0 109.967 178.412 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . 0.436 ' OD1' ' O ' ' A' ' 111' ' ' ASN . 31.6 t-20 -60.91 -33.09 72.6 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.252 -179.864 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -81.51 -0.33 41.42 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.127 179.367 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 84.71 10.94 78.28 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -106.94 121.9 45.36 Favored 'General case' 0 N--CA 1.465 0.301 0 N-CA-C 109.724 -0.473 . . . . 0.0 109.724 179.644 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 14.9 pttp -126.6 103.93 7.84 Favored 'General case' 0 N--CA 1.465 0.296 0 N-CA-C 110.019 -0.363 . . . . 0.0 110.019 -179.575 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 2.0 mp -108.38 156.72 19.1 Favored 'General case' 0 N--CA 1.466 0.329 0 N-CA-C 109.611 -0.514 . . . . 0.0 109.611 179.727 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 30.9 p -66.24 160.48 24.25 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 119.954 -0.698 . . . . 0.0 109.596 -179.436 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 90.9 m-20 -60.01 -34.94 74.03 Favored 'General case' 0 C--N 1.332 -0.17 0 C-N-CA 120.429 -0.508 . . . . 0.0 110.425 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -64.77 -34.89 79.42 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.721 -0.392 . . . . 0.0 110.352 179.328 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 60.0 mt-10 -69.78 -48.73 58.13 Favored 'General case' 0 N--CA 1.448 -0.56 0 C-N-CA 120.469 -0.492 . . . . 0.0 110.193 179.104 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 92.4 t -65.56 -47.11 87.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 C-N-CA 120.51 -0.476 . . . . 0.0 110.262 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 93.8 mt-10 -59.89 -40.87 90.19 Favored 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 120.476 -0.489 . . . . 0.0 110.444 179.834 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 78.1 mm-40 -67.47 -40.01 85.31 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 120.565 -0.454 . . . . 0.0 110.688 179.296 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 32.8 tpp -65.23 -42.84 93.02 Favored 'General case' 0 N--CA 1.448 -0.555 0 C-N-CA 120.72 -0.392 . . . . 0.0 110.299 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 67.4 mt -64.2 -44.73 97.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-O 121.217 0.532 . . . . 0.0 110.017 179.039 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 36.2 mmtm -62.01 -41.97 98.65 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.406 179.506 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 81.9 tt0 -70.33 -36.01 73.98 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.946 0.403 . . . . 0.0 110.777 179.293 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -75.46 -30.72 60.05 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.981 -179.353 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . 0.4 ' OD1' ' OE1' ' A' ' 140' ' ' GLU . 4.8 m-20 -73.41 114.92 12.17 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.325 -0.55 . . . . 0.0 111.5 -178.567 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 10.7 tp -84.8 -26.17 27.68 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.218 179.62 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . 0.412 ' O ' ' C ' ' A' ' 132' ' ' GLY . 20.6 p30 -100.75 10.79 40.71 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.939 -0.304 . . . . 0.0 111.422 -179.084 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . 0.412 ' C ' ' O ' ' A' ' 131' ' ' ASP . . . 40.17 51.19 3.57 Favored Glycine 0 CA--C 1.528 0.891 0 C-N-CA 120.252 -0.975 . . . . 0.0 111.383 -179.894 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . 0.511 ' OD1' ' N ' ' A' ' 135' ' ' GLN . 41.9 p-10 -97.1 -15.91 20.75 Favored 'General case' 0 C--O 1.23 0.077 0 O-C-N 122.236 -0.567 . . . . 0.0 110.356 179.688 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . 0.503 ' N ' ' OD1' ' A' ' 133' ' ' ASP . . . 94.05 -11.0 71.41 Favored Glycine 0 C--N 1.33 0.225 0 N-CA-C 110.031 -1.228 . . . . 0.0 110.031 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . 0.511 ' N ' ' OD1' ' A' ' 133' ' ' ASP . 8.6 mt-30 -112.55 134.05 54.29 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-O 120.578 0.227 . . . . 0.0 110.509 -179.027 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 48.5 t -81.01 110.11 16.13 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.255 0 N-CA-C 108.366 -0.976 . . . . 0.0 108.366 178.507 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . 0.42 ' OD1' ' N ' ' A' ' 140' ' ' GLU . 47.7 p30 -90.12 169.49 11.12 Favored 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 120.814 -0.354 . . . . 0.0 110.325 -179.655 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 79.1 t80 -56.61 -45.83 81.25 Favored 'General case' 0 CA--C 1.531 0.25 0 C-N-CA 120.606 -0.437 . . . . 0.0 111.055 -178.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 35.9 tp10 -56.87 -44.89 82.67 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-O 120.841 0.353 . . . . 0.0 111.056 -179.448 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . 0.42 ' N ' ' OD1' ' A' ' 137' ' ' ASN . 29.6 mt-10 -72.82 -34.41 66.82 Favored 'General case' 0 C--N 1.313 -0.986 0 C-N-CA 120.251 -0.58 . . . . 0.0 109.899 178.9 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 71.5 t80 -64.21 -55.49 21.29 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 120.025 -0.67 . . . . 0.0 109.449 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . 0.446 ' CG1' ' N ' ' A' ' 143' ' ' LYS . 10.5 p -59.43 -43.88 91.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.062 -179.593 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 143' ' ' LYS . . . . . 0.446 ' N ' ' CG1' ' A' ' 142' ' ' VAL . 64.9 tttm -60.17 -50.77 72.35 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.533 -0.758 . . . . 0.0 109.729 179.187 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 16.3 tmm? -61.39 -37.05 82.02 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.515 0.674 . . . . 0.0 109.364 178.55 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 60.8 tpp -67.74 -40.38 84.16 Favored 'General case' 0 N--CA 1.443 -0.822 0 CA-C-N 115.33 -0.85 . . . . 0.0 109.854 -179.574 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 1.6 ttp -61.39 -34.08 74.74 Favored 'General case' 0 N--CA 1.452 -0.373 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 179.607 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 11.7 m -57.51 -72.13 0.09 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.6 -179.491 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 71.3 t -61.85 -45.41 98.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.281 179.713 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 24.0 mmm180 . . . . . 0 C--O 1.22 -0.449 0 CA-C-O 117.908 -1.044 . . . . 0.0 110.482 179.747 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 221' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 234' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 90.1 m-20 . . . . . 0 N--CA 1.491 1.603 0 N-CA-C 110.013 -0.366 . . . . 0.0 110.013 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -52.91 -48.41 67.27 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.189 -0.605 . . . . 0.0 109.822 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 42.1 tp10 -60.88 -29.91 69.84 Favored 'General case' 0 N--CA 1.451 -0.377 0 C-N-CA 120.745 -0.382 . . . . 0.0 110.37 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 83.1 tt0 -74.66 -64.34 1.06 Allowed 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.573 -0.899 . . . . 0.0 108.573 178.279 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 45.1 tt0 -46.07 -45.87 16.47 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.76 -0.376 . . . . 0.0 110.169 179.724 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 4.2 tt -60.49 -45.95 91.88 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.11 -0.636 . . . . 0.0 110.382 -179.651 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 50.5 mtpt -59.74 -39.11 83.63 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 120.359 -0.536 . . . . 0.0 110.348 179.526 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 80.4 tt0 -68.3 -50.4 53.79 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.507 -0.477 . . . . 0.0 110.116 179.467 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -55.18 -49.93 70.64 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.472 -0.491 . . . . 0.0 109.848 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 37.7 t80 -56.27 -44.07 79.41 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.895 -0.409 . . . . 0.0 109.895 179.264 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 63.8 tttp -59.75 -33.16 71.31 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.678 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 77.1 t -69.58 -44.77 79.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 C-N-CA 120.618 -0.433 . . . . 0.0 110.843 179.601 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -64.82 -34.62 78.8 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.485 -0.486 . . . . 0.0 110.539 -179.645 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.517 ' OD2' ' N ' ' A' ' 98' ' ' GLY . 28.2 t0 -71.53 63.64 0.41 Allowed 'General case' 0 C--N 1.323 -0.567 0 C-N-CA 120.471 -0.492 . . . . 0.0 110.651 -179.25 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 57.6 tttp -47.29 -47.23 25.35 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 120.448 -0.501 . . . . 0.0 110.464 -179.201 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . 0.452 ' OD2' ' ND2' ' A' ' 97' ' ' ASN . 48.5 p-10 -74.91 -3.64 33.29 Favored 'General case' 0 C--N 1.325 -0.472 0 C-N-CA 120.837 -0.345 . . . . 0.0 110.451 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . 0.493 ' N ' ' O ' ' A' ' 93' ' ' ASP . 85.9 mt-30 48.73 38.29 11.37 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.157 -179.604 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . 0.452 ' ND2' ' OD2' ' A' ' 95' ' ' ASP . 53.0 p-10 -90.29 7.27 39.23 Favored 'General case' 0 N--CA 1.464 0.253 0 C-N-CA 120.741 -0.383 . . . . 0.0 111.312 -179.272 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . 0.517 ' N ' ' OD2' ' A' ' 93' ' ' ASP . . . 81.1 -6.12 64.24 Favored Glycine 0 CA--C 1.526 0.726 0 N-CA-C 111.373 -0.691 . . . . 0.0 111.373 179.755 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 41.2 m-85 -125.42 169.84 11.97 Favored 'General case' 0 N--CA 1.469 0.488 0 N-CA-C 109.798 -0.445 . . . . 0.0 109.798 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.435 HG21 HD13 ' A' ' 100' ' ' ILE . 78.4 mt -120.8 130.35 74.69 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.43 0 N-CA-C 109.029 -0.73 . . . . 0.0 109.029 178.673 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 86.5 p -104.92 155.23 19.13 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.551 -179.474 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -51.92 -39.16 58.67 Favored 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 120.392 -0.523 . . . . 0.0 109.896 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 80.6 p -60.63 -43.03 97.99 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 120.729 -0.388 . . . . 0.0 110.435 179.497 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -69.21 -40.35 78.03 Favored 'General case' 0 N--CA 1.443 -0.823 0 O-C-N 121.881 -0.512 . . . . 0.0 110.479 179.419 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 36.1 tp -65.0 -43.09 93.67 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 120.822 -0.351 . . . . 0.0 110.8 179.725 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . 0.477 ' CG ' ' N ' ' A' ' 107' ' ' HIS . 12.2 ptt180 -61.05 -46.38 90.91 Favored 'General case' 0 C--N 1.323 -0.586 0 C-N-CA 120.168 -0.613 . . . . 0.0 109.956 -179.736 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . 0.477 ' N ' ' CG ' ' A' ' 106' ' ' ARG . 18.9 t-80 -57.96 -43.02 86.21 Favored 'General case' 0 N--CA 1.452 -0.364 0 N-CA-C 108.902 -0.777 . . . . 0.0 108.902 -178.628 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 69.5 t -64.44 -43.93 97.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.095 178.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 15.6 mmt -60.5 -41.97 95.41 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.558 -0.457 . . . . 0.0 110.244 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 96.9 mt -63.88 -44.1 97.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 N-CA-C 109.751 -0.463 . . . . 0.0 109.751 179.122 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 6.5 t-20 -63.19 -32.82 74.31 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.96 -0.385 . . . . 0.0 109.96 179.496 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 52.6 mt -76.17 -2.65 32.17 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.099 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 84.54 11.53 77.37 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.897 -0.881 . . . . 0.0 110.897 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -108.68 125.06 51.48 Favored 'General case' 0 N--CA 1.466 0.37 0 N-CA-C 109.866 -0.42 . . . . 0.0 109.866 179.817 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.444 ' H ' ' HD2' ' A' ' 115' ' ' LYS . 0.0 OUTLIER -125.69 102.94 7.56 Favored 'General case' 0 N--CA 1.468 0.464 0 N-CA-C 110.041 -0.355 . . . . 0.0 110.041 -179.141 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 4.2 mp -105.33 154.49 20.21 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.938 -0.393 . . . . 0.0 109.938 179.708 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 66.1 p -66.41 162.45 20.43 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.145 -0.622 . . . . 0.0 109.532 -179.759 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -62.0 -38.77 89.87 Favored 'General case' 0 C--O 1.233 0.197 0 C-N-CA 120.303 -0.559 . . . . 0.0 110.561 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -56.84 -34.95 68.29 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.63 -0.428 . . . . 0.0 110.576 179.813 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -73.51 -48.68 31.37 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 120.467 -0.493 . . . . 0.0 110.1 179.115 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 79.0 t -64.67 -44.22 96.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 C-N-CA 120.578 -0.449 . . . . 0.0 110.182 179.405 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 46.3 tp10 -63.88 -37.97 89.35 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.651 -0.419 . . . . 0.0 110.098 179.826 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 59.1 tt0 -71.31 -41.93 69.28 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.722 -0.391 . . . . 0.0 110.446 179.472 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 43.4 ttp -64.16 -42.33 96.78 Favored 'General case' 0 N--CA 1.45 -0.467 0 C-N-CA 120.846 -0.342 . . . . 0.0 110.272 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 4.8 mm -63.78 -45.55 96.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 121.24 0.543 . . . . 0.0 109.821 179.309 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 67.1 mmtt -66.27 -41.47 89.82 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.89 179.154 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 37.6 tp10 -72.91 -35.31 67.04 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.124 179.782 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -71.68 -32.15 67.55 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.264 -179.296 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . 0.552 ' OD2' ' N ' ' A' ' 133' ' ' ASP . 20.9 t70 -74.74 119.91 19.56 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.019 0.438 . . . . 0.0 111.621 -178.619 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 45.0 tp -86.6 -24.11 25.5 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.833 -0.622 . . . . 0.0 111.605 179.653 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 41.5 p-10 -103.42 10.05 37.49 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 121.002 -0.279 . . . . 0.0 111.464 -178.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . 0.476 ' CA ' ' OD2' ' A' ' 129' ' ' ASP . . . 44.49 29.22 1.74 Allowed Glycine 0 CA--C 1.531 1.092 0 C-N-CA 120.269 -0.967 . . . . 0.0 111.249 179.758 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . 0.552 ' N ' ' OD2' ' A' ' 129' ' ' ASP . 17.1 p-10 -73.65 -17.77 61.11 Favored 'General case' 0 C--O 1.231 0.131 0 CA-C-N 117.054 0.427 . . . . 0.0 110.428 179.586 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 98.43 -7.48 61.75 Favored Glycine 0 C--N 1.33 0.195 0 N-CA-C 110.26 -1.136 . . . . 0.0 110.26 179.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -124.6 141.53 52.03 Favored 'General case' 0 N--CA 1.452 -0.375 0 CA-C-O 120.541 0.21 . . . . 0.0 110.555 -178.75 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 22.7 t -80.65 121.56 34.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 N-CA-C 108.524 -0.917 . . . . 0.0 108.524 178.664 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 64.1 t30 -96.35 166.68 11.6 Favored 'General case' 0 N--CA 1.47 0.536 0 N-CA-C 110.187 -0.301 . . . . 0.0 110.187 179.376 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 43.6 t80 -46.82 -52.25 14.65 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 120.598 -0.441 . . . . 0.0 111.019 -178.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 83.6 tt0 -58.71 -44.4 90.35 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.656 -0.418 . . . . 0.0 111.299 -179.337 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 71.6 mt-10 -63.5 -41.01 98.54 Favored 'General case' 0 C--N 1.32 -0.68 0 C-N-CA 120.26 -0.576 . . . . 0.0 110.274 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . 0.476 ' O ' ' N ' ' A' ' 145' ' ' MET . 56.6 t80 -63.89 -48.95 74.61 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 178.92 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 56.8 t -58.87 -47.38 89.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 N-CA-C 109.127 -0.694 . . . . 0.0 109.127 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 62.6 tttm -63.82 -48.31 77.35 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.94 -0.573 . . . . 0.0 109.844 179.414 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 47.7 ttp -63.1 -43.28 98.91 Favored 'General case' 0 CA--C 1.515 -0.383 0 CA-C-O 121.463 0.649 . . . . 0.0 109.527 178.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 145' ' ' MET . . . . . 0.476 ' N ' ' O ' ' A' ' 141' ' ' PHE . 8.1 tmm? -62.62 -37.93 88.25 Favored 'General case' 0 C--N 1.314 -0.936 0 CA-C-N 115.112 -0.949 . . . . 0.0 110.125 -179.581 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 40.4 mtt -65.99 -40.6 91.34 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.159 179.273 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 26.0 m -56.69 -17.68 9.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.501 -179.518 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 93.5 t -56.19 -47.0 81.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.271 -179.469 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 61.7 ttp180 . . . . . 0 C--N 1.323 -0.549 0 CA-C-O 118.01 -0.995 . . . . 0.0 110.473 179.212 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 221' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 234' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 86.7 m-20 . . . . . 0 N--CA 1.49 1.573 0 N-CA-C 110.109 -0.33 . . . . 0.0 110.109 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -53.33 -47.43 69.34 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 120.293 -0.563 . . . . 0.0 109.849 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.446 ' OE1' ' O ' ' A' ' 82' ' ' GLU . 3.7 tm-20 -63.37 -34.01 76.79 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 120.622 -0.431 . . . . 0.0 110.823 179.498 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -71.69 -68.08 0.48 Allowed 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 178.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 40.5 tp10 -47.3 -43.0 22.14 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 120.699 -0.4 . . . . 0.0 110.222 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 7.0 tt -62.94 -44.03 97.18 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.399 -0.52 . . . . 0.0 110.476 179.518 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -61.28 -35.82 78.36 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 120.55 -0.46 . . . . 0.0 109.898 179.701 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 82.4 tt0 -67.68 -50.57 57.02 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 109.724 -0.473 . . . . 0.0 109.724 179.438 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -52.76 -45.99 67.31 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 54.7 t80 -55.88 -43.09 76.86 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.664 -0.495 . . . . 0.0 109.664 179.419 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -62.62 -32.39 73.41 Favored 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 120.75 -0.38 . . . . 0.0 110.534 179.509 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 70.4 t -69.51 -48.52 65.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 C-N-CA 120.515 -0.474 . . . . 0.0 110.786 179.44 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -64.54 -32.29 73.87 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.498 -0.481 . . . . 0.0 110.129 179.771 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 63.6 t0 -76.18 57.78 1.16 Allowed 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 120.557 -0.457 . . . . 0.0 110.706 -179.391 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -52.21 -44.91 65.02 Favored 'General case' 0 C--O 1.234 0.255 0 C-N-CA 120.305 -0.558 . . . . 0.0 110.043 -179.584 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . 0.453 ' OD2' ' OE2' ' A' ' 104' ' ' GLU . 5.4 m-20 -65.94 -9.12 26.9 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.827 -0.435 . . . . 0.0 109.827 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 99.0 mm-40 53.31 20.14 1.81 Allowed 'General case' 0 C--N 1.324 -0.5 0 C-N-CA 120.493 -0.483 . . . . 0.0 110.292 -179.749 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 46.5 p-10 -77.55 -0.87 27.94 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 120.8 -0.36 . . . . 0.0 111.221 -179.185 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 83.79 -0.62 89.45 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 111.391 -0.683 . . . . 0.0 111.391 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.497 ' CE2' ' OD1' ' A' ' 137' ' ' ASN . 50.3 m-85 -135.03 139.6 44.94 Favored 'General case' 0 N--CA 1.465 0.296 0 O-C-N 122.695 -0.297 . . . . 0.0 110.331 -179.767 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 14.2 mt -88.22 131.3 36.12 Favored 'Isoleucine or valine' 0 C--O 1.238 0.493 0 N-CA-C 108.686 -0.857 . . . . 0.0 108.686 178.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 44.2 t -103.06 159.49 15.47 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.795 -179.172 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -52.16 -41.35 62.51 Favored 'General case' 0 C--O 1.234 0.255 0 C-N-CA 120.297 -0.561 . . . . 0.0 109.988 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 92.8 p -57.01 -39.86 75.55 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 120.76 -0.376 . . . . 0.0 110.363 179.753 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.453 ' OE2' ' OD2' ' A' ' 95' ' ' ASP . 92.1 mt-10 -73.17 -38.56 66.14 Favored 'General case' 0 N--CA 1.441 -0.875 0 C-N-CA 120.48 -0.488 . . . . 0.0 110.256 179.123 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.0 -45.8 93.36 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.487 -0.485 . . . . 0.0 110.756 -179.42 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . 0.411 ' HG3' ' N ' ' A' ' 107' ' ' HIS . 41.1 ptt180 -69.15 -42.48 75.88 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 120.348 -0.541 . . . . 0.0 110.401 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . 0.411 ' N ' ' HG3' ' A' ' 106' ' ' ARG . 9.3 t-80 -56.86 -40.95 77.09 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 -179.707 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 65.2 t -65.17 -43.03 95.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 C-N-CA 120.733 -0.387 . . . . 0.0 110.119 178.797 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 17.2 mmt -59.76 -40.8 89.39 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.61 -0.436 . . . . 0.0 110.125 -179.757 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.413 HD11 HG22 ' A' ' 110' ' ' ILE . 97.6 mt -65.47 -44.02 94.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 C-N-CA 120.366 -0.533 . . . . 0.0 109.988 178.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 16.4 t30 -58.96 -30.55 68.0 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.922 -0.399 . . . . 0.0 109.922 179.701 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 8.6 mp -82.64 0.28 43.83 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.851 179.392 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 81.89 18.1 68.5 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 -179.846 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -119.82 136.95 54.27 Favored 'General case' 0 N--CA 1.466 0.366 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 179.814 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 16.3 pttp -123.8 106.9 10.86 Favored 'General case' 0 N--CA 1.469 0.478 0 N-CA-C 110.086 -0.339 . . . . 0.0 110.086 -179.796 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . 0.565 ' N ' ' CD2' ' A' ' 116' ' ' LEU . 3.4 mm? -90.59 153.19 20.52 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.85 -0.426 . . . . 0.0 109.85 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 17.0 p -70.68 158.28 36.51 Favored 'General case' 0 C--N 1.331 -0.197 0 C-N-CA 119.981 -0.688 . . . . 0.0 109.48 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -63.35 -41.41 98.85 Favored 'General case' 0 C--N 1.332 -0.188 0 C-N-CA 120.379 -0.528 . . . . 0.0 110.575 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -68.06 -29.97 69.06 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.796 -0.362 . . . . 0.0 110.609 179.669 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 33.8 tp10 -73.81 -48.14 33.52 Favored 'General case' 0 N--CA 1.449 -0.523 0 C-N-CA 120.607 -0.437 . . . . 0.0 110.147 179.384 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 71.1 t -62.42 -47.37 93.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 N-CA-C 109.619 -0.511 . . . . 0.0 109.619 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 75.7 mm-40 -58.95 -35.82 73.78 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.563 -0.455 . . . . 0.0 109.971 179.261 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -62.15 -48.05 81.81 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.46 -0.496 . . . . 0.0 110.419 179.451 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' MET . . . . . 0.44 ' O ' ' N ' ' A' ' 128' ' ' ALA . 58.4 mtm -65.11 -39.8 93.62 Favored 'General case' 0 N--CA 1.449 -0.483 0 C-N-CA 120.803 -0.359 . . . . 0.0 110.245 179.313 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 4.3 mm -63.02 -46.22 96.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 C-N-CA 120.375 -0.53 . . . . 0.0 109.64 179.266 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -69.42 -39.17 78.04 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.893 178.78 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 34.6 tp10 -73.93 -35.99 64.64 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.993 -0.548 . . . . 0.0 111.243 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . 0.44 ' N ' ' O ' ' A' ' 124' ' ' MET . . . -75.46 -28.16 59.17 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.283 -179.049 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . 0.436 ' OD1' ' OD1' ' A' ' 133' ' ' ASP . 38.4 t0 -72.57 111.89 8.14 Favored 'General case' 0 C--N 1.322 -0.619 0 C-N-CA 120.462 -0.495 . . . . 0.0 111.98 -178.867 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . 0.539 ' H ' ' CD ' ' A' ' 140' ' ' GLU . 8.7 tp -88.43 -23.66 23.24 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.196 179.418 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . 0.433 ' C ' ' H ' ' A' ' 133' ' ' ASP . 31.9 m-20 -89.44 2.26 54.74 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.882 -0.327 . . . . 0.0 111.276 -178.724 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 58.21 5.03 2.08 Favored Glycine 0 CA--C 1.529 0.966 0 C-N-CA 120.28 -0.962 . . . . 0.0 111.111 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . 0.436 ' OD1' ' OD1' ' A' ' 129' ' ' ASP . 35.0 p-10 -67.89 -16.9 64.3 Favored 'General case' 0 N--CA 1.461 0.121 0 CA-C-N 117.215 0.508 . . . . 0.0 110.39 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 87.98 7.19 74.48 Favored Glycine 0 C--N 1.33 0.198 0 N-CA-C 110.169 -1.172 . . . . 0.0 110.169 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -121.67 143.74 49.17 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 110.423 -0.214 . . . . 0.0 110.423 -179.079 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 14.6 t -83.56 115.41 25.82 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.305 0 N-CA-C 108.619 -0.882 . . . . 0.0 108.619 178.717 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . 0.497 ' OD1' ' CE2' ' A' ' 99' ' ' TYR . 62.0 t30 -96.65 167.34 11.18 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 120.884 -0.326 . . . . 0.0 110.266 179.78 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 77.7 t80 -48.07 -52.33 20.7 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 120.791 -0.363 . . . . 0.0 110.62 -178.754 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 80.0 tt0 -58.94 -44.16 91.32 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.642 -0.423 . . . . 0.0 111.175 -179.376 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . 0.539 ' CD ' ' H ' ' A' ' 130' ' ' LEU . 75.7 mt-10 -65.7 -41.02 92.84 Favored 'General case' 0 C--N 1.32 -0.714 0 C-N-CA 120.134 -0.626 . . . . 0.0 110.389 179.814 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 58.4 t80 -63.67 -50.71 68.19 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.224 -0.591 . . . . 0.0 109.528 179.303 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 53.6 t -59.38 -45.44 93.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 115.927 -0.579 . . . . 0.0 109.445 179.681 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 26.2 tptp -61.23 -49.92 75.16 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.878 179.429 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 16.2 tmm? -62.34 -39.38 92.93 Favored 'General case' 0 CA--C 1.512 -0.493 0 CA-C-O 121.41 0.624 . . . . 0.0 109.462 178.606 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 33.6 ttm -67.44 -40.43 85.46 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.256 -0.883 . . . . 0.0 109.944 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 2.9 mmt -62.09 -36.26 81.16 Favored 'General case' 0 N--CA 1.45 -0.444 0 N-CA-C 109.964 -0.384 . . . . 0.0 109.964 179.438 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 96.5 m -57.78 -72.63 0.08 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.357 -179.459 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 32.2 m -66.76 -14.1 17.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.388 179.605 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 83.4 mtp180 . . . . . 0 C--O 1.223 -0.328 0 CA-C-O 117.903 -1.046 . . . . 0.0 110.245 179.919 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 221' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 234' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 67.1 t0 . . . . . 0 N--CA 1.493 1.699 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -48.71 -42.64 35.7 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.278 -0.569 . . . . 0.0 109.826 -179.848 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.551 ' OE1' ' NZ ' ' A' ' 86' ' ' LYS . 3.9 tm-20 -68.98 -41.04 78.4 Favored 'General case' 0 C--N 1.332 -0.183 0 C-N-CA 120.591 -0.443 . . . . 0.0 110.56 179.192 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 81.3 tt0 -53.24 -70.29 0.09 Allowed 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 108.15 -1.055 . . . . 0.0 108.15 178.801 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -45.24 -33.47 2.37 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.677 -0.409 . . . . 0.0 110.261 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 2.4 tt -61.19 -45.05 96.19 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 120.243 -0.583 . . . . 0.0 110.304 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.551 ' NZ ' ' OE1' ' A' ' 82' ' ' GLU . 58.5 mttp -63.08 -40.12 96.73 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 120.37 -0.532 . . . . 0.0 110.361 179.016 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 82.5 tt0 -68.76 -51.95 35.74 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.592 -0.443 . . . . 0.0 109.956 179.679 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -53.16 -45.1 68.31 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 120.508 -0.477 . . . . 0.0 109.735 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 70.3 t80 -58.2 -43.11 87.43 Favored 'General case' 0 N--CA 1.453 -0.28 0 C-N-CA 120.87 -0.332 . . . . 0.0 110.114 179.117 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -64.23 -32.56 74.2 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.897 -0.321 . . . . 0.0 110.655 179.468 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 97.2 t -81.93 -25.88 9.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 C-N-CA 120.678 -0.409 . . . . 0.0 110.678 179.544 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -64.64 -33.67 76.48 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.491 -0.484 . . . . 0.0 110.511 179.615 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.549 ' OD2' ' N ' ' A' ' 98' ' ' GLY . 21.6 t0 -82.59 75.26 9.5 Favored 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 120.382 -0.527 . . . . 0.0 110.902 -178.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 64.6 tttp -47.27 -42.91 21.62 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.433 -0.507 . . . . 0.0 109.857 -179.71 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -71.89 -7.47 48.69 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.894 -0.322 . . . . 0.0 110.23 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . 0.533 ' N ' ' O ' ' A' ' 93' ' ' ASP . 14.8 mm100 54.72 32.84 18.21 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.248 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 9.3 m120 -86.28 4.38 39.2 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.614 -0.435 . . . . 0.0 111.032 -179.564 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . 0.549 ' N ' ' OD2' ' A' ' 93' ' ' ASP . . . 76.3 -8.17 26.79 Favored Glycine 0 CA--C 1.528 0.845 0 N-CA-C 110.917 -0.873 . . . . 0.0 110.917 -179.558 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 28.0 m-85 -127.15 135.66 51.02 Favored 'General case' 0 N--CA 1.469 0.505 0 O-C-N 122.582 -0.363 . . . . 0.0 110.102 179.675 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 4.3 mt -83.09 122.99 38.23 Favored 'Isoleucine or valine' 0 C--O 1.238 0.467 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 179.161 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 38.5 t -100.29 165.48 11.45 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.67 -179.275 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -54.38 -44.96 72.7 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.299 -0.561 . . . . 0.0 109.937 179.657 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 72.7 m -57.38 -39.87 76.98 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.808 -0.357 . . . . 0.0 110.45 179.568 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.421 ' OE2' ' OD1' ' A' ' 93' ' ' ASP . 77.3 mt-10 -74.13 -39.18 63.49 Favored 'General case' 0 N--CA 1.44 -0.93 0 O-C-N 121.899 -0.501 . . . . 0.0 110.165 179.436 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.84 -46.82 88.07 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 120.534 -0.466 . . . . 0.0 110.295 -179.591 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 16.9 ptm180 -69.99 -41.3 74.57 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 120.304 -0.558 . . . . 0.0 110.289 179.656 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 11.7 t-80 -57.0 -45.18 83.18 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 -179.757 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 73.9 t -64.62 -42.48 95.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 C-N-CA 120.635 -0.426 . . . . 0.0 110.263 178.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 7.4 mmt -61.69 -42.4 98.87 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 120.579 -0.448 . . . . 0.0 110.08 -179.645 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 96.7 mt -64.84 -44.51 96.31 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 C-N-CA 120.461 -0.496 . . . . 0.0 109.984 179.186 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . 0.401 ' OD1' ' O ' ' A' ' 111' ' ' ASN . 20.7 t-20 -62.57 -32.36 73.33 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 179.556 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 48.7 mt -78.69 -1.06 32.61 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.043 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 83.12 15.25 72.66 Favored Glycine 0 CA--C 1.525 0.717 0 N-CA-C 110.88 -0.888 . . . . 0.0 110.88 -179.828 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 73.2 mt-10 -116.53 133.25 56.23 Favored 'General case' 0 N--CA 1.466 0.344 0 N-CA-C 109.928 -0.397 . . . . 0.0 109.928 179.662 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.54 112.98 9.97 Favored 'General case' 0 N--CA 1.467 0.421 0 N-CA-C 110.034 -0.358 . . . . 0.0 110.034 -179.883 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . 0.633 ' N ' ' CD2' ' A' ' 116' ' ' LEU . 0.8 OUTLIER -103.14 158.31 16.39 Favored 'General case' 0 N--CA 1.466 0.373 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 -179.857 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 12.2 m -63.26 161.8 13.19 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.112 -0.635 . . . . 0.0 109.415 -179.389 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 47.5 t0 -61.46 -37.56 84.04 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 120.453 -0.499 . . . . 0.0 110.467 -179.767 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -67.09 -30.95 71.13 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.736 -0.386 . . . . 0.0 110.608 179.301 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 56.0 mt-10 -70.58 -46.35 63.62 Favored 'General case' 0 N--CA 1.452 -0.334 0 C-N-CA 120.537 -0.465 . . . . 0.0 110.148 179.298 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 85.8 t -62.38 -48.19 89.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 C-N-CA 120.621 -0.432 . . . . 0.0 110.235 179.685 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -59.17 -39.41 82.39 Favored 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 120.665 -0.414 . . . . 0.0 110.125 179.665 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 -63.92 -47.75 79.31 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.576 -0.45 . . . . 0.0 110.59 179.539 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' MET . . . . . 0.436 ' O ' ' N ' ' A' ' 128' ' ' ALA . 74.7 mtm -64.16 -41.92 96.94 Favored 'General case' 0 N--CA 1.449 -0.487 0 C-N-CA 120.679 -0.408 . . . . 0.0 110.224 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 4.4 mm -64.16 -45.28 96.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 C-N-CA 120.484 -0.486 . . . . 0.0 109.731 179.314 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 27.4 mmtp -68.33 -42.22 79.64 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.788 179.201 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 79.3 tt0 -72.82 -36.33 67.49 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.992 179.791 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . 0.436 ' N ' ' O ' ' A' ' 124' ' ' MET . . . -71.73 -32.63 67.96 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.051 -179.425 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . 0.452 ' OD1' ' OD1' ' A' ' 133' ' ' ASP . 32.0 t0 -68.65 109.48 3.81 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.012 0.434 . . . . 0.0 111.769 -178.72 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . 0.545 ' N ' ' OE2' ' A' ' 140' ' ' GLU . 48.3 tp -89.94 -30.41 17.86 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.558 179.229 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . 0.464 ' OD2' ' ND2' ' A' ' 137' ' ' ASN . 39.9 m-20 -78.39 -11.46 59.95 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 120.862 -0.335 . . . . 0.0 111.519 -178.425 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 70.03 25.18 75.93 Favored Glycine 0 CA--C 1.529 0.91 0 C-N-CA 120.328 -0.939 . . . . 0.0 111.366 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . 0.452 ' OD1' ' OD1' ' A' ' 129' ' ' ASP . 41.3 p-10 -94.56 -15.93 23.68 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 117.111 0.455 . . . . 0.0 110.246 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 91.59 0.97 71.86 Favored Glycine 0 C--N 1.33 0.231 0 N-CA-C 110.386 -1.086 . . . . 0.0 110.386 179.851 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 13.7 mt-30 -117.04 138.55 51.52 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.577 0.227 . . . . 0.0 110.564 -179.022 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 40.7 t -86.72 109.48 19.07 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.305 0 N-CA-C 108.419 -0.956 . . . . 0.0 108.419 178.328 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . 0.464 ' ND2' ' OD2' ' A' ' 131' ' ' ASP . 55.0 p30 -95.59 175.95 6.35 Favored 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 120.896 -0.322 . . . . 0.0 110.186 -179.909 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . 0.428 ' OH ' ' OE2' ' A' ' 82' ' ' GLU . 63.1 t80 -51.7 -43.32 62.73 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.618 -0.433 . . . . 0.0 110.977 -179.155 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . 0.475 ' O ' HG12 ' A' ' 142' ' ' VAL . 14.1 tm-20 -60.33 -49.28 78.21 Favored 'General case' 0 N--CA 1.466 0.327 0 C-N-CA 120.64 -0.424 . . . . 0.0 111.019 -179.37 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . 0.545 ' OE2' ' N ' ' A' ' 130' ' ' LEU . 39.3 mt-10 -68.16 -39.42 82.59 Favored 'General case' 0 C--N 1.313 -0.99 0 C-N-CA 120.129 -0.628 . . . . 0.0 109.849 179.569 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 72.8 t80 -63.54 -55.14 26.25 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.131 -0.628 . . . . 0.0 110.188 -179.416 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . 0.484 ' CG1' ' N ' ' A' ' 143' ' ' LYS . 8.2 p -59.09 -44.78 92.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.65 -179.432 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 143' ' ' LYS . . . . . 0.484 ' N ' ' CG1' ' A' ' 142' ' ' VAL . 88.5 tttt -61.43 -50.08 74.25 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.704 179.348 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 44.0 ttp -61.33 -39.54 90.92 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.423 0.63 . . . . 0.0 109.335 178.833 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 145' ' ' MET . . . . . 0.457 ' O ' ' N ' ' A' ' 149' ' ' ARG . 36.8 ttm -64.51 -39.53 93.95 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.127 -0.942 . . . . 0.0 109.966 -179.767 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 89.5 mtp -63.17 -38.83 92.72 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 110.016 -0.365 . . . . 0.0 110.016 179.369 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 25.3 m -60.72 -72.14 0.12 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.403 -179.711 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 84.7 t -64.5 -45.35 95.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.517 179.606 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 149' ' ' ARG . . . . . 0.457 ' N ' ' O ' ' A' ' 145' ' ' MET . 78.1 ttt180 . . . . . 0 C--O 1.22 -0.466 0 CA-C-O 117.967 -1.016 . . . . 0.0 110.12 179.752 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 221' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 234' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 89.1 m-20 . . . . . 0 N--CA 1.491 1.618 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -56.07 -49.53 73.51 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.372 -0.531 . . . . 0.0 109.868 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -65.06 -36.24 83.72 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.69 -0.404 . . . . 0.0 110.714 179.626 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 80.4 tt0 -66.67 -69.31 0.31 Allowed 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 178.86 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 51.8 tp10 -46.94 -38.12 10.08 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.716 -0.394 . . . . 0.0 110.367 -179.774 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 54.1 tp -60.9 -46.34 91.04 Favored 'General case' 0 C--N 1.331 -0.208 0 C-N-CA 120.274 -0.571 . . . . 0.0 110.36 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 15.5 mmmt -62.04 -38.97 90.76 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.516 -0.474 . . . . 0.0 110.326 179.647 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 47.0 tp10 -67.89 -52.57 34.95 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.557 -0.457 . . . . 0.0 110.114 179.626 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -52.02 -44.21 64.06 Favored 'General case' 0 N--CA 1.455 -0.225 0 N-CA-C 109.736 -0.468 . . . . 0.0 109.736 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 78.8 t80 -57.35 -45.89 83.89 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 179.46 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 65.0 mmtt -60.55 -33.46 72.71 Favored 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 120.779 -0.368 . . . . 0.0 110.695 179.252 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 97.1 t -72.57 -41.72 63.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 120.921 0.391 . . . . 0.0 110.478 179.139 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -60.21 -35.99 76.66 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.644 -0.422 . . . . 0.0 110.333 -179.458 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.518 ' OD2' ' N ' ' A' ' 98' ' ' GLY . 38.1 t0 -70.59 77.89 0.59 Allowed 'General case' 0 C--N 1.324 -0.5 0 C-N-CA 120.428 -0.509 . . . . 0.0 110.951 -178.841 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -54.63 -50.19 68.71 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 120.361 -0.535 . . . . 0.0 109.986 -179.727 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . 0.404 ' OD2' ' OE2' ' A' ' 104' ' ' GLU . 4.6 m-20 -73.03 -0.64 14.45 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.953 0.406 . . . . 0.0 110.112 -179.854 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 49.4 tp60 46.2 33.67 1.86 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.01 -179.805 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 47.4 p-10 -88.62 -5.32 58.24 Favored 'General case' 0 N--CA 1.464 0.268 0 C-N-CA 120.719 -0.392 . . . . 0.0 111.322 -179.014 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . 0.518 ' N ' ' OD2' ' A' ' 93' ' ' ASP . . . 95.42 -13.78 66.1 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 179.849 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 12.9 m-85 -122.68 132.66 54.36 Favored 'General case' 0 N--CA 1.47 0.529 0 O-C-N 122.75 -0.264 . . . . 0.0 110.606 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 16.1 mt -82.11 125.6 39.81 Favored 'Isoleucine or valine' 0 C--O 1.232 0.169 0 N-CA-C 108.872 -0.788 . . . . 0.0 108.872 179.195 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 4.2 m -93.65 151.62 19.54 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.489 -179.358 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -51.26 -40.32 58.62 Favored 'General case' 0 C--N 1.331 -0.212 0 C-N-CA 120.364 -0.534 . . . . 0.0 109.916 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 69.2 m -60.95 -40.74 94.46 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 120.82 -0.352 . . . . 0.0 110.589 179.446 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.404 ' OE2' ' OD2' ' A' ' 95' ' ' ASP . 79.5 mt-10 -64.64 -39.31 93.47 Favored 'General case' 0 N--CA 1.442 -0.832 0 C-N-CA 120.591 -0.444 . . . . 0.0 110.339 179.626 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.59 -40.67 97.53 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-O 121.229 0.538 . . . . 0.0 109.907 179.824 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 93.4 mtm-85 -61.9 -47.23 85.88 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 120.259 -0.576 . . . . 0.0 110.243 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 25.0 m170 -53.53 -42.56 67.54 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.771 -0.455 . . . . 0.0 109.771 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 90.4 t -64.49 -42.11 94.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.305 -0.407 . . . . 0.0 109.991 179.253 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 19.0 mmt -59.28 -43.7 92.51 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.603 -0.439 . . . . 0.0 110.179 -179.415 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 2.0 mp -66.85 -42.79 89.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 C-N-CA 120.548 -0.461 . . . . 0.0 109.823 178.822 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 14.1 t-20 -58.6 -34.17 70.82 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.306 -0.406 . . . . 0.0 109.925 -179.78 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 8.4 mp -81.1 -2.25 47.57 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.063 179.308 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 82.3 18.91 65.63 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.954 -0.859 . . . . 0.0 110.954 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -119.79 135.21 54.95 Favored 'General case' 0 N--CA 1.468 0.45 0 N-CA-C 109.639 -0.504 . . . . 0.0 109.639 179.668 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 18.0 pttp -137.76 116.28 12.05 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-O 120.77 0.319 . . . . 0.0 110.335 -179.679 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . 0.611 ' N ' ' CD2' ' A' ' 116' ' ' LEU . 0.9 OUTLIER -105.9 157.57 17.39 Favored 'General case' 0 N--CA 1.467 0.381 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 -179.972 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 69.1 p -65.47 162.97 16.81 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 120.178 -0.609 . . . . 0.0 109.461 -179.644 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 91.5 m-20 -61.49 -40.46 94.62 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.408 -0.517 . . . . 0.0 110.562 -179.725 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . 0.492 ' OE1' ' N ' ' A' ' 119' ' ' GLU . 56.5 mp0 -59.16 -36.61 75.59 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.687 -0.405 . . . . 0.0 110.692 179.877 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -71.12 -48.28 53.13 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.449 -0.5 . . . . 0.0 110.348 179.159 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 99.4 t -63.36 -47.68 90.81 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.272 0 C-N-CA 120.634 -0.426 . . . . 0.0 110.191 179.71 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -60.48 -40.95 93.16 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.717 -0.393 . . . . 0.0 110.238 179.46 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 48.5 tp60 -66.3 -43.49 86.14 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 120.653 -0.419 . . . . 0.0 110.453 179.495 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 43.3 ttp -60.73 -41.84 96.12 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-O 120.782 0.325 . . . . 0.0 110.536 -179.704 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . 0.447 ' O ' ' OD1' ' A' ' 129' ' ' ASP . 6.7 mm -63.2 -44.55 99.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 N-CA-C 109.577 -0.527 . . . . 0.0 109.577 179.784 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -63.74 -43.4 96.57 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.046 179.63 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -68.39 -37.44 80.37 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.103 179.695 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -76.16 -29.66 57.81 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.307 -179.295 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . 0.447 ' OD1' ' O ' ' A' ' 125' ' ' ILE . 2.9 m-20 -74.32 113.33 11.41 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.17 0.509 . . . . 0.0 111.337 -179.067 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 9.5 tp -80.17 -28.31 38.81 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.405 179.804 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . 0.416 ' N ' ' OD1' ' A' ' 131' ' ' ASP . 39.2 p-10 -113.26 12.22 18.88 Favored 'General case' 0 N--CA 1.466 0.367 0 N-CA-C 111.729 0.27 . . . . 0.0 111.729 -179.13 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 41.04 39.64 2.1 Favored Glycine 0 CA--C 1.53 1.026 0 C-N-CA 120.484 -0.865 . . . . 0.0 111.379 179.64 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . 0.538 ' OD1' ' N ' ' A' ' 135' ' ' GLN . 49.1 p30 -71.12 -16.19 62.55 Favored 'General case' 0 C--O 1.228 -0.049 0 O-C-N 122.463 -0.433 . . . . 0.0 110.268 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . 0.509 ' N ' ' OD1' ' A' ' 133' ' ' ASP . . . 105.48 -14.0 47.05 Favored Glycine 0 C--N 1.332 0.358 0 N-CA-C 110.311 -1.116 . . . . 0.0 110.311 179.602 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . 0.538 ' N ' ' OD1' ' A' ' 133' ' ' ASP . 28.2 mp0 -132.23 147.91 52.43 Favored 'General case' 0 N--CA 1.448 -0.539 0 CA-C-O 120.743 0.306 . . . . 0.0 110.699 -178.752 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 43.8 t -81.55 119.95 32.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 N-CA-C 108.209 -1.034 . . . . 0.0 108.209 178.69 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 34.7 p30 -95.92 173.8 7.26 Favored 'General case' 0 N--CA 1.467 0.418 0 N-CA-C 110.11 -0.33 . . . . 0.0 110.11 179.776 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 84.6 t80 -53.27 -48.16 68.53 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.461 -0.496 . . . . 0.0 111.149 -178.798 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . 0.408 ' O ' HG12 ' A' ' 142' ' ' VAL . 80.4 tt0 -57.21 -45.25 83.96 Favored 'General case' 0 C--N 1.333 -0.11 0 CA-C-O 120.998 0.428 . . . . 0.0 110.859 -179.535 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 52.7 mt-10 -70.52 -37.32 74.09 Favored 'General case' 0 C--N 1.319 -0.724 0 C-N-CA 120.063 -0.655 . . . . 0.0 109.674 179.118 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . 0.455 ' O ' ' N ' ' A' ' 145' ' ' MET . 79.9 t80 -62.6 -56.88 13.79 Favored 'General case' 0 N--CA 1.454 -0.248 0 C-N-CA 120.171 -0.612 . . . . 0.0 109.925 -179.72 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . 0.446 ' CG1' ' N ' ' A' ' 143' ' ' LYS . 11.8 p -57.35 -44.71 84.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 N-CA-C 109.473 -0.565 . . . . 0.0 109.473 -179.595 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 143' ' ' LYS . . . . . 0.446 ' N ' ' CG1' ' A' ' 142' ' ' VAL . 65.8 tttm -61.94 -49.14 77.32 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.638 179.201 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 60.0 ttp -62.77 -39.62 94.73 Favored 'General case' 0 CA--C 1.513 -0.445 0 CA-C-O 121.676 0.75 . . . . 0.0 109.353 178.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 145' ' ' MET . . . . . 0.455 ' N ' ' O ' ' A' ' 141' ' ' PHE . 34.9 ttm -62.3 -40.24 95.65 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.103 -0.953 . . . . 0.0 110.064 179.753 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 74.9 mtp -66.07 -41.48 90.7 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.832 -0.347 . . . . 0.0 110.203 179.337 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 25.0 m -54.37 -17.89 3.52 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.579 -179.585 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 98.4 t -55.59 -47.19 79.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.321 -179.326 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 62.1 ttp180 . . . . . 0 C--O 1.218 -0.565 0 CA-C-O 118.091 -0.956 . . . . 0.0 110.481 179.029 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 221' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 234' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 88.9 m-20 . . . . . 0 N--CA 1.493 1.719 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -55.66 -49.96 71.51 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.103 -0.639 . . . . 0.0 110.138 -179.826 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 37.1 tp10 -65.82 -40.73 92.12 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 120.739 -0.384 . . . . 0.0 110.723 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -60.08 -71.0 0.14 Allowed 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.149 -0.686 . . . . 0.0 109.149 179.127 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -48.34 -43.74 33.62 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.619 -0.432 . . . . 0.0 110.446 -179.666 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 57.4 tp -62.79 -45.58 91.97 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.365 -0.534 . . . . 0.0 110.404 179.353 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 62.6 tttp -59.27 -33.73 71.41 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 120.434 -0.507 . . . . 0.0 110.221 179.765 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -68.74 -50.84 47.35 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 109.91 -0.404 . . . . 0.0 109.91 179.622 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -52.51 -47.35 66.7 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.333 -0.547 . . . . 0.0 109.875 179.761 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 32.1 t80 -56.71 -42.28 78.89 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.746 -0.382 . . . . 0.0 110.037 179.13 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.662 ' HZ3' HE22 ' A' ' 96' ' ' GLN . 62.3 tttp -61.1 -33.05 72.74 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.776 -0.369 . . . . 0.0 110.472 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 85.4 t -69.57 -46.4 75.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 C-N-CA 120.518 -0.473 . . . . 0.0 110.667 179.569 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -65.56 -34.44 78.26 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 120.448 -0.501 . . . . 0.0 110.211 179.615 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 41.0 t0 -71.16 60.36 0.27 Allowed 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 120.447 -0.501 . . . . 0.0 110.71 -179.36 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 55.6 mtpt -52.9 -48.19 67.38 Favored 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 120.343 -0.543 . . . . 0.0 110.215 -179.214 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -67.23 -7.71 26.08 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.941 0.4 . . . . 0.0 109.997 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . 0.662 HE22 ' HZ3' ' A' ' 90' ' ' LYS . 16.4 mm100 50.9 28.66 3.88 Favored 'General case' 0 C--N 1.325 -0.494 0 C-N-CA 120.414 -0.514 . . . . 0.0 110.184 -179.605 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 47.4 p30 -86.39 4.7 38.25 Favored 'General case' 0 C--N 1.328 -0.347 0 O-C-N 121.965 -0.459 . . . . 0.0 111.126 -179.156 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 81.02 -7.16 60.49 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 111.221 -0.751 . . . . 0.0 111.221 179.826 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.402 ' CE2' ' ND2' ' A' ' 137' ' ' ASN . 39.2 m-85 -128.67 134.97 48.67 Favored 'General case' 0 N--CA 1.469 0.477 0 N-CA-C 110.203 -0.295 . . . . 0.0 110.203 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 30.4 mt -83.2 127.98 39.19 Favored 'Isoleucine or valine' 0 C--O 1.235 0.308 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 179.037 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 24.9 m -95.13 155.51 16.7 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 116.541 -0.299 . . . . 0.0 110.675 -179.335 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -51.62 -41.88 61.6 Favored 'General case' 0 C--N 1.331 -0.199 0 C-N-CA 120.251 -0.579 . . . . 0.0 110.076 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 79.3 p -60.05 -37.89 81.16 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 120.663 -0.415 . . . . 0.0 110.661 179.673 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 80.3 mt-10 -68.31 -39.05 82.13 Favored 'General case' 0 N--CA 1.448 -0.538 0 C-N-CA 120.448 -0.501 . . . . 0.0 110.463 179.401 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 30.8 tp -62.84 -42.54 99.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.1 0.476 . . . . 0.0 110.134 179.11 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 84.9 mtp180 -60.22 -45.35 93.51 Favored 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 120.211 -0.596 . . . . 0.0 109.861 179.787 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 11.7 t-160 -57.56 -42.64 83.42 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.481 -0.487 . . . . 0.0 109.783 179.436 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 63.2 t -62.94 -45.49 98.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 C-N-CA 120.578 -0.449 . . . . 0.0 110.183 179.023 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' MET . . . . . 0.402 ' O ' ' O ' ' A' ' 114' ' ' GLU . 19.4 mmt -60.33 -42.68 96.16 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.549 -0.46 . . . . 0.0 110.157 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 95.7 mt -63.4 -44.03 98.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 179.038 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 26.2 t-20 -62.5 -35.14 78.43 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.698 -0.401 . . . . 0.0 110.074 179.544 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 49.4 mt -72.52 -5.04 34.24 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.864 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 85.37 17.6 62.11 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 110.888 -0.885 . . . . 0.0 110.888 179.754 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . 0.402 ' O ' ' O ' ' A' ' 109' ' ' MET . 97.2 mt-10 -126.9 143.21 51.34 Favored 'General case' 0 N--CA 1.467 0.381 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 179.655 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 18.6 ptmt -139.69 121.36 15.31 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-O 120.76 0.314 . . . . 0.0 110.182 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 48.2 mt -110.15 157.22 19.62 Favored 'General case' 0 N--CA 1.465 0.283 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 8.4 p -69.33 167.05 17.25 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.144 -0.623 . . . . 0.0 109.551 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 97.0 m-20 -62.57 -41.9 99.22 Favored 'General case' 0 C--N 1.332 -0.194 0 C-N-CA 120.417 -0.513 . . . . 0.0 110.777 -179.823 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 -54.58 -37.67 65.79 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.712 -0.395 . . . . 0.0 110.641 179.771 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 -73.04 -48.48 35.72 Favored 'General case' 0 N--CA 1.449 -0.491 0 C-N-CA 120.439 -0.504 . . . . 0.0 110.168 179.021 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 90.6 t -62.72 -47.63 91.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 C-N-CA 120.44 -0.504 . . . . 0.0 109.984 179.743 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -57.96 -36.89 73.21 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.511 -0.476 . . . . 0.0 110.342 179.601 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 83.5 mt-30 -71.6 -36.54 70.86 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.643 -0.423 . . . . 0.0 110.698 179.126 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 26.3 tpp -64.24 -44.68 91.06 Favored 'General case' 0 N--CA 1.448 -0.557 0 C-N-CA 120.788 -0.365 . . . . 0.0 110.302 -179.793 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 12.1 mm -62.57 -48.6 87.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 C-N-CA 120.527 -0.469 . . . . 0.0 110.001 179.279 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -63.33 -43.7 97.01 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.75 179.456 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 81.8 tt0 -68.85 -37.51 79.16 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.915 179.585 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -76.14 -29.59 57.84 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.972 -179.611 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 88.7 m-20 -76.34 118.73 19.33 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 120.403 -0.519 . . . . 0.0 111.37 -178.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 46.6 tp -74.9 -26.34 59.58 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.245 179.675 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . 0.432 ' O ' ' C ' ' A' ' 132' ' ' GLY . 43.7 p-10 -114.35 19.86 15.93 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 121.014 -0.274 . . . . 0.0 111.389 -179.219 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . 0.432 ' C ' ' O ' ' A' ' 131' ' ' ASP . . . 39.65 39.17 1.21 Allowed Glycine 0 CA--C 1.531 1.091 0 C-N-CA 120.28 -0.962 . . . . 0.0 111.369 -179.899 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . 0.556 ' OD1' ' N ' ' A' ' 134' ' ' GLY . 43.8 p-10 -76.91 -18.04 58.55 Favored 'General case' 0 CA--C 1.528 0.098 0 CA-C-N 117.132 0.466 . . . . 0.0 110.312 179.701 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . 0.556 ' N ' ' OD1' ' A' ' 133' ' ' ASP . . . 96.24 -10.29 67.48 Favored Glycine 0 C--N 1.33 0.2 0 N-CA-C 110.269 -1.132 . . . . 0.0 110.269 179.873 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . 0.51 ' N ' ' OD1' ' A' ' 133' ' ' ASP . 17.2 mt-30 -117.84 132.76 56.4 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-O 120.566 0.222 . . . . 0.0 110.403 -179.063 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 98.8 t -82.58 118.51 30.41 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.278 0 N-CA-C 108.671 -0.862 . . . . 0.0 108.671 178.603 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . 0.402 ' ND2' ' CE2' ' A' ' 99' ' ' TYR . 17.9 t-20 -95.79 170.13 9.53 Favored 'General case' 0 N--CA 1.47 0.571 0 N-CA-C 110.019 -0.363 . . . . 0.0 110.019 179.818 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 60.9 t80 -53.14 -46.15 68.7 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.694 -0.402 . . . . 0.0 110.977 -178.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . 0.432 ' O ' HG12 ' A' ' 142' ' ' VAL . 42.9 tt0 -56.55 -45.73 81.07 Favored 'General case' 0 CA--C 1.517 -0.302 0 C-N-CA 120.688 -0.405 . . . . 0.0 111.177 -179.42 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -69.54 -37.23 76.98 Favored 'General case' 0 C--N 1.313 -1.022 0 C-N-CA 119.993 -0.683 . . . . 0.0 110.111 179.383 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . 0.427 ' O ' ' N ' ' A' ' 145' ' ' MET . 33.5 t80 -63.5 -56.41 16.29 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 119.998 -0.681 . . . . 0.0 109.777 -179.512 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . 0.432 HG12 ' O ' ' A' ' 139' ' ' GLU . 11.7 p -57.72 -41.98 80.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-O 121.313 0.578 . . . . 0.0 109.971 -179.528 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 143' ' ' LYS . . . . . 0.412 ' N ' ' CG1' ' A' ' 142' ' ' VAL . 88.7 tttt -63.1 -50.53 70.17 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.564 -0.743 . . . . 0.0 109.688 178.905 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 47.6 ttp -62.96 -38.71 92.17 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.096 -0.705 . . . . 0.0 109.096 178.717 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 145' ' ' MET . . . . . 0.45 ' O ' ' N ' ' A' ' 149' ' ' ARG . 56.3 tpp -62.7 -41.02 98.91 Favored 'General case' 0 N--CA 1.443 -0.781 0 CA-C-N 115.367 -0.833 . . . . 0.0 109.573 -179.615 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 3.1 mmt -62.4 -37.89 87.5 Favored 'General case' 0 N--CA 1.452 -0.351 0 N-CA-C 109.896 -0.409 . . . . 0.0 109.896 179.53 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 9.8 m -61.18 -71.48 0.14 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.583 -179.706 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 72.6 t -63.82 -44.83 98.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.344 179.539 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 149' ' ' ARG . . . . . 0.45 ' N ' ' O ' ' A' ' 145' ' ' MET . 62.1 ttp180 . . . . . 0 C--O 1.22 -0.473 0 CA-C-O 117.954 -1.022 . . . . 0.0 110.257 179.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 221' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 234' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 . . . . . 0 N--CA 1.49 1.544 0 N-CA-C 110.048 -0.353 . . . . 0.0 110.048 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -55.08 -47.68 74.58 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 120.369 -0.532 . . . . 0.0 109.985 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 37.8 tp10 -66.47 -33.05 74.84 Favored 'General case' 0 N--CA 1.45 -0.45 0 C-N-CA 120.919 -0.312 . . . . 0.0 110.536 -179.857 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -68.76 -70.02 0.29 Allowed 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 178.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 -47.14 -37.67 10.33 Favored 'General case' 0 C--N 1.328 -0.326 0 C-N-CA 120.699 -0.4 . . . . 0.0 110.542 -179.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 57.7 tp -62.24 -44.83 95.66 Favored 'General case' 0 C--N 1.332 -0.18 0 C-N-CA 120.365 -0.534 . . . . 0.0 110.223 179.702 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 27.8 tptp -62.86 -37.11 85.58 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 120.455 -0.498 . . . . 0.0 110.264 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 80.3 tt0 -67.38 -52.2 42.88 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 120.563 -0.455 . . . . 0.0 110.091 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -53.27 -43.84 67.76 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 120.553 -0.459 . . . . 0.0 109.808 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 75.6 t80 -56.84 -45.31 82.45 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.981 -0.377 . . . . 0.0 109.981 179.435 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 53.5 mtpt -63.32 -31.26 72.36 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.869 -0.333 . . . . 0.0 110.865 179.217 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 62.1 t -83.2 -24.17 8.2 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 C-N-CA 120.853 -0.339 . . . . 0.0 110.648 179.512 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -69.5 -34.82 74.86 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.7 -0.4 . . . . 0.0 110.829 179.569 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.536 ' OD2' ' N ' ' A' ' 98' ' ' GLY . 39.0 t0 -74.87 83.67 2.18 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 120.455 -0.498 . . . . 0.0 111.193 -178.542 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 64.2 tttp -55.48 -49.42 72.57 Favored 'General case' 0 C--N 1.333 -0.133 0 N-CA-C 109.545 -0.539 . . . . 0.0 109.545 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . 0.429 ' OD2' ' OE2' ' A' ' 104' ' ' GLU . 9.7 m-20 -71.19 -6.7 41.54 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.986 0.422 . . . . 0.0 109.934 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 89.3 mt-30 49.11 33.65 5.08 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.191 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . 0.68 ' ND2' ' H ' ' A' ' 99' ' ' TYR . 0.1 OUTLIER -88.49 -0.1 56.86 Favored 'General case' 0 N--CA 1.463 0.2 0 C-N-CA 120.969 -0.293 . . . . 0.0 111.416 -179.397 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . 0.536 ' N ' ' OD2' ' A' ' 93' ' ' ASP . . . 89.71 -4.32 83.58 Favored Glycine 0 CA--C 1.526 0.769 0 N-CA-C 111.427 -0.669 . . . . 0.0 111.427 179.649 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.68 ' H ' ' ND2' ' A' ' 97' ' ' ASN . 57.9 m-85 -131.17 137.23 48.89 Favored 'General case' 0 N--CA 1.466 0.344 0 O-C-N 122.81 -0.229 . . . . 0.0 110.443 -179.779 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 6.9 mt -86.22 127.88 39.88 Favored 'Isoleucine or valine' 0 C--O 1.237 0.421 0 N-CA-C 108.859 -0.793 . . . . 0.0 108.859 178.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' SER . . . . . 0.431 ' CB ' HE22 ' A' ' 135' ' ' GLN . 15.2 m -99.38 155.23 17.64 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.539 -179.475 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -52.96 -41.37 64.46 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.289 -0.564 . . . . 0.0 110.079 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 67.0 m -60.17 -42.52 95.14 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 120.795 -0.362 . . . . 0.0 110.768 179.437 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.429 ' OE2' ' OD2' ' A' ' 95' ' ' ASP . 90.4 mt-10 -64.56 -37.95 89.32 Favored 'General case' 0 N--CA 1.442 -0.832 0 C-N-CA 120.653 -0.419 . . . . 0.0 110.199 179.669 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.89 -41.18 97.79 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-O 121.352 0.596 . . . . 0.0 109.942 179.735 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 95.3 mtm-85 -61.37 -45.72 93.2 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 120.371 -0.532 . . . . 0.0 110.127 -179.773 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 10.8 t-80 -57.89 -42.95 85.71 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.57 -0.452 . . . . 0.0 109.787 179.436 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 81.5 t -61.64 -45.93 97.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 C-N-CA 120.646 -0.422 . . . . 0.0 110.058 179.269 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' MET . . . . . 0.453 ' O ' ' O ' ' A' ' 114' ' ' GLU . 36.7 mtt -57.67 -40.65 79.84 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.624 -0.43 . . . . 0.0 110.072 -179.761 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 97.1 mt -65.25 -43.2 95.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 C-N-CA 120.539 -0.464 . . . . 0.0 110.091 178.849 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 -62.16 -36.82 83.01 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.371 179.721 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 8.9 mp -75.47 -1.09 22.52 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.079 179.694 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 79.66 15.48 79.44 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 179.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . 0.453 ' O ' ' O ' ' A' ' 109' ' ' MET . 97.0 mt-10 -116.46 137.78 51.9 Favored 'General case' 0 N--CA 1.466 0.352 0 N-CA-C 109.875 -0.417 . . . . 0.0 109.875 179.672 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.18 111.48 7.51 Favored 'General case' 0 N--CA 1.47 0.525 0 N-CA-C 109.725 -0.472 . . . . 0.0 109.725 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 6.2 mp -105.97 168.19 9.29 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 179.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 9.7 p -73.56 161.53 30.24 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.224 -0.59 . . . . 0.0 109.482 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 93.7 m-20 -62.01 -40.41 95.58 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.392 -0.523 . . . . 0.0 110.567 -179.659 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -56.27 -34.96 66.92 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 120.627 -0.429 . . . . 0.0 110.672 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 -73.85 -49.11 26.61 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 120.412 -0.515 . . . . 0.0 110.361 179.131 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 98.6 t -64.41 -44.52 97.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 C-N-CA 120.694 -0.402 . . . . 0.0 110.166 179.527 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -65.42 -41.45 93.55 Favored 'General case' 0 CA--C 1.516 -0.336 0 C-N-CA 120.889 -0.324 . . . . 0.0 110.34 179.392 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 56.8 tt0 -66.39 -43.05 86.95 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.614 -0.434 . . . . 0.0 110.578 179.262 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' MET . . . . . 0.406 ' O ' ' N ' ' A' ' 128' ' ' ALA . 64.6 ttp -66.48 -41.19 89.33 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-O 120.91 0.386 . . . . 0.0 110.22 179.19 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 3.0 mm -61.24 -63.92 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 C-N-CA 120.311 -0.556 . . . . 0.0 109.787 179.762 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 16.9 ptmt -53.12 -37.59 61.9 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.627 -178.786 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 82.2 tt0 -73.38 -34.67 65.69 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.688 179.781 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . 0.406 ' N ' ' O ' ' A' ' 124' ' ' MET . . . -69.03 -32.26 71.64 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.791 -0.641 . . . . 0.0 111.143 -179.462 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . 0.56 ' OD2' ' N ' ' A' ' 133' ' ' ASP . 35.0 t70 -75.4 121.95 23.04 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.141 0.496 . . . . 0.0 111.788 -179.055 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 10.2 tp -86.52 -24.81 25.39 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.623 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . 0.44 ' OD1' ' OD2' ' A' ' 129' ' ' ASP . 27.4 p30 -98.68 12.09 36.51 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 111.725 0.268 . . . . 0.0 111.725 -178.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . 0.549 ' N ' ' OD2' ' A' ' 129' ' ' ASP . . . 45.69 23.7 1.01 Allowed Glycine 0 CA--C 1.53 0.999 0 C-N-CA 120.378 -0.915 . . . . 0.0 111.258 179.728 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . 0.56 ' N ' ' OD2' ' A' ' 129' ' ' ASP . 45.2 p-10 -71.68 -16.59 62.25 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 117.043 0.421 . . . . 0.0 110.373 179.636 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . 0.453 ' N ' ' OD1' ' A' ' 133' ' ' ASP . . . 94.55 -5.33 70.22 Favored Glycine 0 N--CA 1.459 0.193 0 N-CA-C 110.205 -1.158 . . . . 0.0 110.205 179.644 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . 0.431 HE22 ' CB ' ' A' ' 101' ' ' SER . 60.8 mm-40 -122.69 142.68 50.43 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-O 120.857 0.36 . . . . 0.0 110.69 -178.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 24.3 t -87.07 115.63 28.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 N-CA-C 108.434 -0.95 . . . . 0.0 108.434 178.512 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 42.3 t30 -91.95 169.68 10.47 Favored 'General case' 0 N--CA 1.467 0.407 0 N-CA-C 110.176 -0.305 . . . . 0.0 110.176 179.359 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 89.1 t80 -50.4 -49.1 55.54 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.724 -0.39 . . . . 0.0 111.112 -178.764 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . 0.429 ' CG ' ' N ' ' A' ' 140' ' ' GLU . 10.5 pt-20 -58.27 -42.04 85.64 Favored 'General case' 0 N--CA 1.456 -0.172 0 CA-C-O 121.034 0.445 . . . . 0.0 110.797 -179.335 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . 0.429 ' N ' ' CG ' ' A' ' 139' ' ' GLU . 57.5 mt-10 -70.55 -38.96 74.24 Favored 'General case' 0 C--N 1.321 -0.651 0 C-N-CA 120.07 -0.652 . . . . 0.0 109.553 179.648 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 74.0 t80 -61.95 -55.5 28.82 Favored 'General case' 0 N--CA 1.455 -0.192 0 C-N-CA 120.051 -0.659 . . . . 0.0 110.307 -179.854 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 14.5 p -58.51 -41.26 81.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 -179.756 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 28.5 tptp -61.78 -49.73 75.2 Favored 'General case' 0 N--CA 1.446 -0.648 0 CA-C-N 115.925 -0.58 . . . . 0.0 109.901 179.217 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 8.1 tmm? -61.67 -37.09 82.82 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.068 -0.716 . . . . 0.0 109.068 178.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 45.5 tpp -64.73 -38.74 92.02 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.021 -0.99 . . . . 0.0 109.555 -179.732 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 146' ' ' MET . . . . . 0.495 ' C ' ' H ' ' A' ' 148' ' ' VAL . 75.6 mmm -64.12 -39.69 94.57 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.938 -0.393 . . . . 0.0 109.938 179.47 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 40.7 m -47.6 -14.25 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.471 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 148' ' ' VAL . . . . . 0.495 ' H ' ' C ' ' A' ' 146' ' ' MET . 40.5 t -76.98 -3.27 5.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.516 179.864 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.219 -0.539 0 CA-C-O 117.968 -1.015 . . . . 0.0 110.318 179.518 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 221' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 234' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 97.3 m-20 . . . . . 0 N--CA 1.492 1.639 0 N-CA-C 109.962 -0.385 . . . . 0.0 109.962 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -54.07 -48.94 70.1 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.261 -0.575 . . . . 0.0 109.928 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 41.8 tp10 -61.24 -30.76 70.65 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 120.82 -0.352 . . . . 0.0 110.594 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -72.22 -66.94 0.59 Allowed 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 178.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 46.8 tp10 -44.68 -42.22 7.37 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.577 -0.449 . . . . 0.0 110.443 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 19.6 mt -62.94 -44.36 96.29 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.299 -0.56 . . . . 0.0 110.475 179.699 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -63.05 -41.5 99.49 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 120.329 -0.548 . . . . 0.0 109.925 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -65.1 -53.89 38.44 Favored 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 120.493 -0.483 . . . . 0.0 109.878 179.75 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -53.4 -47.33 69.63 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 120.434 -0.506 . . . . 0.0 109.73 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 42.7 t80 -56.62 -43.65 80.39 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.808 -0.441 . . . . 0.0 109.808 179.306 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 89.0 tttt -60.96 -33.09 72.66 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 120.742 -0.383 . . . . 0.0 110.577 179.777 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 69.5 t -69.74 -47.78 68.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 C-N-CA 120.407 -0.517 . . . . 0.0 110.962 179.457 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -63.16 -34.01 76.69 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.397 -0.521 . . . . 0.0 110.251 179.851 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.54 ' OD1' ' ND2' ' A' ' 97' ' ' ASN . 41.4 t0 -73.85 59.44 0.68 Allowed 'General case' 0 C--N 1.324 -0.5 0 C-N-CA 120.527 -0.469 . . . . 0.0 110.738 -179.284 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 67.7 mmtt -46.84 -44.74 19.66 Favored 'General case' 0 C--N 1.333 -0.135 0 C-N-CA 120.232 -0.587 . . . . 0.0 110.344 -179.631 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -71.92 -6.98 45.88 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 120.84 -0.344 . . . . 0.0 110.161 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . 0.525 ' N ' ' O ' ' A' ' 93' ' ' ASP . 77.4 mt-30 48.65 34.82 5.4 Favored 'General case' 0 C--N 1.322 -0.595 0 C-N-CA 120.55 -0.46 . . . . 0.0 110.223 -179.801 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . 0.709 ' ND2' ' H ' ' A' ' 99' ' ' TYR . 0.1 OUTLIER -90.46 2.78 55.34 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 120.74 -0.384 . . . . 0.0 111.215 -179.313 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . 0.553 ' N ' HD21 ' A' ' 97' ' ' ASN . . . 87.64 -8.87 75.96 Favored Glycine 0 CA--C 1.524 0.654 0 C-N-CA 120.8 -0.714 . . . . 0.0 111.418 179.593 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.709 ' H ' ' ND2' ' A' ' 97' ' ' ASN . 67.0 m-85 -130.97 135.8 47.96 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 116.673 0.236 . . . . 0.0 110.391 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 20.2 mt -83.44 127.51 39.67 Favored 'Isoleucine or valine' 0 C--O 1.235 0.303 0 N-CA-C 108.86 -0.793 . . . . 0.0 108.86 179.195 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 17.2 m -91.63 157.21 17.1 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.628 -179.315 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -52.15 -42.66 63.56 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 120.257 -0.577 . . . . 0.0 110.091 179.685 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 44.8 t -59.32 -40.21 85.56 Favored 'General case' 0 C--O 1.238 0.478 0 CA-C-O 120.909 0.385 . . . . 0.0 110.531 179.582 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -68.0 -38.56 82.8 Favored 'General case' 0 N--CA 1.448 -0.565 0 O-C-N 121.812 -0.555 . . . . 0.0 110.406 179.069 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.548 ' CD1' ' SD ' ' A' ' 109' ' ' MET . 0.2 OUTLIER -59.55 -40.77 88.35 Favored 'General case' 0 CA--C 1.537 0.458 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 179.642 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 84.2 mtp180 -63.12 -42.44 99.54 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.6 -0.519 . . . . 0.0 109.6 179.48 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 11.1 t-80 -55.33 -32.41 62.48 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 109.57 -0.53 . . . . 0.0 109.57 179.15 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 94.5 t -74.09 -44.09 50.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 C-N-CA 120.507 -0.477 . . . . 0.0 110.387 178.597 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' MET . . . . . 0.567 ' SD ' ' N ' ' A' ' 109' ' ' MET . 0.0 OUTLIER -62.28 -48.14 81.2 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.291 -0.564 . . . . 0.0 111.296 -179.684 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.429 ' CD1' ' N ' ' A' ' 111' ' ' ASN . 2.7 pp -65.76 -42.92 93.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 C-N-CA 120.385 -0.526 . . . . 0.0 109.904 179.268 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . 0.429 ' N ' ' CD1' ' A' ' 110' ' ' ILE . 20.5 t30 -58.8 -33.89 70.87 Favored 'General case' 0 C--N 1.332 -0.157 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 179.881 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 7.2 mp -80.18 -1.34 39.98 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.984 179.161 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 83.35 21.33 58.73 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -119.96 136.57 54.48 Favored 'General case' 0 N--CA 1.466 0.359 0 N-CA-C 109.634 -0.506 . . . . 0.0 109.634 179.743 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 31.4 pttt -130.22 112.81 13.71 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-O 120.634 0.254 . . . . 0.0 110.349 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 65.0 mt -109.18 155.25 21.27 Favored 'General case' 0 N--CA 1.466 0.334 0 N-CA-C 109.56 -0.533 . . . . 0.0 109.56 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 12.8 m -64.32 160.47 18.79 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.203 -0.599 . . . . 0.0 109.538 -179.763 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 41.8 t0 -62.47 -35.55 79.68 Favored 'General case' 0 C--O 1.234 0.261 0 C-N-CA 120.475 -0.49 . . . . 0.0 110.467 -179.738 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -64.35 -34.61 78.55 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.688 -0.405 . . . . 0.0 110.646 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -71.26 -45.53 62.97 Favored 'General case' 0 N--CA 1.451 -0.411 0 C-N-CA 120.463 -0.495 . . . . 0.0 110.01 179.272 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 70.5 t -63.25 -49.22 83.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 C-N-CA 120.42 -0.512 . . . . 0.0 110.143 179.706 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -56.37 -36.68 69.11 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.621 -0.432 . . . . 0.0 110.215 179.447 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 59.1 tt0 -67.18 -38.46 85.44 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.569 -0.453 . . . . 0.0 110.472 179.359 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 93.9 mtp -64.35 -41.95 96.49 Favored 'General case' 0 N--CA 1.449 -0.513 0 C-N-CA 120.73 -0.388 . . . . 0.0 110.373 179.83 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 7.3 mm -62.73 -48.85 86.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 N-CA-C 109.761 -0.459 . . . . 0.0 109.761 179.213 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -63.42 -44.52 94.37 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.619 179.611 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 78.4 tt0 -68.07 -37.66 81.53 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.961 179.705 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -75.45 -31.0 60.15 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.21 -179.664 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -77.48 122.77 25.67 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 120.437 -0.505 . . . . 0.0 111.231 -178.607 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 5.8 tt -80.3 -24.17 40.17 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.488 179.82 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . 0.41 ' O ' ' C ' ' A' ' 132' ' ' GLY . 36.4 p30 -111.36 18.15 19.49 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 121.083 -0.247 . . . . 0.0 111.465 -179.086 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . 0.41 ' C ' ' O ' ' A' ' 131' ' ' ASP . . . 40.17 34.78 0.64 Allowed Glycine 0 CA--C 1.531 1.08 0 C-N-CA 120.306 -0.95 . . . . 0.0 111.464 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . 0.553 ' OD1' ' N ' ' A' ' 134' ' ' GLY . 51.2 p-10 -76.45 -18.16 58.93 Favored 'General case' 0 N--CA 1.461 0.123 0 C-N-CA 120.54 -0.464 . . . . 0.0 110.262 179.844 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . 0.553 ' N ' ' OD1' ' A' ' 133' ' ' ASP . . . 96.35 -10.52 67.27 Favored Glycine 0 C--N 1.331 0.263 0 N-CA-C 110.259 -1.136 . . . . 0.0 110.259 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . 0.478 ' N ' ' OD1' ' A' ' 133' ' ' ASP . 12.4 mt-30 -114.88 130.99 57.0 Favored 'General case' 0 N--CA 1.449 -0.516 0 N-CA-C 110.554 -0.165 . . . . 0.0 110.554 -178.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 94.7 t -79.92 121.15 32.71 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.254 0 N-CA-C 108.493 -0.929 . . . . 0.0 108.493 178.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . 0.442 ' OD1' ' CE2' ' A' ' 99' ' ' TYR . 57.7 t30 -96.31 164.36 12.68 Favored 'General case' 0 N--CA 1.471 0.625 0 N-CA-C 110.094 -0.336 . . . . 0.0 110.094 -179.864 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 88.0 t80 -46.29 -50.68 15.84 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 120.604 -0.438 . . . . 0.0 111.009 -178.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 82.6 tt0 -58.81 -43.61 90.61 Favored 'General case' 0 CA--C 1.516 -0.357 0 C-N-CA 120.637 -0.425 . . . . 0.0 111.397 -179.172 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -65.37 -42.12 93.09 Favored 'General case' 0 C--N 1.317 -0.812 0 C-N-CA 119.981 -0.688 . . . . 0.0 110.28 179.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . 0.417 ' O ' ' N ' ' A' ' 145' ' ' MET . 49.8 t80 -62.3 -50.33 72.08 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.276 -0.638 . . . . 0.0 109.276 179.333 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . 0.405 ' O ' ' N ' ' A' ' 146' ' ' MET . 47.7 t -58.85 -45.76 91.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.547 179.648 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 62.7 tttp -61.54 -49.53 76.31 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.782 -0.645 . . . . 0.0 109.83 179.404 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 13.2 tmm? -63.11 -41.07 99.28 Favored 'General case' 0 CA--C 1.51 -0.596 0 CA-C-O 121.549 0.69 . . . . 0.0 109.606 178.696 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 145' ' ' MET . . . . . 0.417 ' N ' ' O ' ' A' ' 141' ' ' PHE . 36.1 ttm -69.2 -41.22 77.4 Favored 'General case' 0 N--CA 1.445 -0.709 0 CA-C-N 115.256 -0.884 . . . . 0.0 110.274 -179.79 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 146' ' ' MET . . . . . 0.405 ' N ' ' O ' ' A' ' 142' ' ' VAL . 15.6 mmt -64.88 -39.2 93.17 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.08 179.471 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 33.4 m -55.44 -72.99 0.06 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.275 -179.546 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 78.9 t -67.0 -70.9 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.279 179.55 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 62.4 ttp180 . . . . . 0 C--N 1.326 -0.448 0 CA-C-O 117.914 -1.041 . . . . 0.0 110.522 179.713 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 221' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 234' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 . . . . . 0 N--CA 1.491 1.584 0 N-CA-C 109.879 -0.415 . . . . 0.0 109.879 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -53.92 -48.56 70.06 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 120.37 -0.532 . . . . 0.0 109.898 -179.725 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.539 ' OE2' ' NZ ' ' A' ' 86' ' ' LYS . 0.9 OUTLIER -58.38 -35.86 72.63 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 120.697 -0.401 . . . . 0.0 110.263 -179.72 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.468 ' N ' ' OE1' ' A' ' 83' ' ' GLU . 57.0 mp0 -72.73 -65.26 0.81 Allowed 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.083 -0.71 . . . . 0.0 109.083 178.327 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -42.85 -46.42 5.27 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.559 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 74.0 mt -61.53 -43.7 98.38 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 120.525 -0.47 . . . . 0.0 110.449 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.539 ' NZ ' ' OE2' ' A' ' 82' ' ' GLU . 36.5 mmtm -63.94 -44.18 93.62 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.331 -0.548 . . . . 0.0 110.446 179.09 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 84.9 tt0 -68.36 -50.44 53.19 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.639 -0.424 . . . . 0.0 110.208 179.57 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -55.48 -48.02 75.22 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.24 -0.437 . . . . 0.0 109.976 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.424 ' CD1' ' C ' ' A' ' 89' ' ' PHE . 29.9 t80 -57.7 -42.34 83.51 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.28 -0.418 . . . . 0.0 109.932 179.547 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 14.3 tptm -61.51 -32.35 72.38 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.805 -179.669 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 77.7 t -68.71 -45.53 81.1 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.299 0 C-N-CA 120.69 -0.404 . . . . 0.0 110.681 179.237 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -66.92 -33.18 75.02 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.494 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 43.9 t0 -73.74 59.62 0.67 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.432 -179.441 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 56.1 mtpt -51.83 -45.64 64.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 109.865 -179.014 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -68.81 -10.25 55.71 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.975 0.417 . . . . 0.0 110.007 -179.495 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 52.54 28.21 5.8 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.506 -179.724 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 37.0 p-10 -86.72 5.25 37.17 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.315 -179.097 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 80.17 -3.92 69.47 Favored Glycine 0 CA--C 1.527 0.788 0 N-CA-C 111.462 -0.655 . . . . 0.0 111.462 179.402 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 38.6 m-85 -131.44 135.56 47.24 Favored 'General case' 0 N--CA 1.468 0.46 0 N-CA-C 110.424 -0.213 . . . . 0.0 110.424 -179.839 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 43.8 mt -84.77 128.9 38.53 Favored 'Isoleucine or valine' 0 C--O 1.237 0.397 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 178.589 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 36.4 t -98.21 159.33 15.01 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.616 -179.175 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -51.84 -41.39 61.78 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.504 -0.478 . . . . 0.0 109.726 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 70.2 m -56.75 -40.72 76.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.015 0.436 . . . . 0.0 110.384 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 92.0 mt-10 -71.84 -38.33 70.16 Favored 'General case' 0 N--CA 1.441 -0.881 0 CA-C-O 120.719 0.295 . . . . 0.0 110.868 179.19 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.34 -44.5 95.46 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 120.987 0.422 . . . . 0.0 110.38 -178.872 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 9.0 ptm180 -69.67 -39.67 76.86 Favored 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 120.312 -0.555 . . . . 0.0 109.84 179.368 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 14.2 t-80 -57.35 -42.76 82.6 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 109.665 -0.495 . . . . 0.0 109.665 179.81 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 57.2 t -65.43 -43.85 94.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.063 179.1 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 11.7 mmt -60.36 -41.98 94.82 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.539 -0.465 . . . . 0.0 110.311 -179.496 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 96.5 mt -65.07 -43.56 95.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.943 0.401 . . . . 0.0 109.99 179.238 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 22.9 t30 -59.95 -33.27 71.7 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.282 179.763 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -83.19 -1.83 53.98 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.063 179.73 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 86.47 20.16 55.11 Favored Glycine 0 N--CA 1.464 0.505 0 N-CA-C 111.109 -0.796 . . . . 0.0 111.109 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 -117.6 130.98 56.73 Favored 'General case' 0 N--CA 1.465 0.294 0 N-CA-C 109.754 -0.462 . . . . 0.0 109.754 179.508 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 8.9 ptmm? -136.38 116.29 13.2 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-O 120.989 0.423 . . . . 0.0 110.624 -179.627 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 1.6 mp -113.79 162.02 16.82 Favored 'General case' 0 N--CA 1.464 0.274 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 24.6 p -70.24 167.29 18.26 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.2 -0.6 . . . . 0.0 109.489 -179.758 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 91.4 m-20 -62.74 -38.93 92.48 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.615 -0.434 . . . . 0.0 110.447 -179.412 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . 0.451 ' OE1' ' N ' ' A' ' 119' ' ' GLU . 58.5 mp0 -63.87 -34.77 78.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.678 179.836 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 65.8 mt-10 -70.82 -47.25 60.46 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.292 179.014 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 87.7 t -64.33 -47.18 90.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 N-CA-C 109.987 -0.375 . . . . 0.0 109.987 179.656 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 80.8 tt0 -57.59 -37.2 72.82 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.784 -0.45 . . . . 0.0 109.784 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 57.2 tt0 -65.21 -42.23 93.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.243 179.432 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 80.2 mmm -65.88 -42.72 89.95 Favored 'General case' 0 N--CA 1.448 -0.571 0 CA-C-O 120.687 0.279 . . . . 0.0 110.722 179.837 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 36.9 mm -63.87 -45.26 97.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 179.804 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 38.4 mmtm -66.66 -42.64 86.3 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.366 -0.834 . . . . 0.0 110.864 179.549 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 80.4 tt0 -70.35 -36.41 74.18 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.839 -179.787 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -77.44 -29.18 52.77 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.349 -179.031 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . 0.437 ' OD1' ' OD1' ' A' ' 133' ' ' ASP . 41.5 t0 -71.35 105.44 3.51 Favored 'General case' 0 CA--C 1.507 -0.683 0 CA-C-O 121.322 0.582 . . . . 0.0 112.058 -179.121 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . 0.522 ' H ' ' CD ' ' A' ' 140' ' ' GLU . 50.9 tp -87.35 -29.14 21.76 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 115.14 -0.936 . . . . 0.0 111.574 179.222 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 36.8 m-20 -79.6 -11.35 59.88 Favored 'General case' 0 N--CA 1.464 0.23 0 C-N-CA 120.887 -0.325 . . . . 0.0 111.668 -178.497 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 70.0 22.31 77.11 Favored Glycine 0 CA--C 1.529 0.933 0 C-N-CA 120.724 -0.751 . . . . 0.0 111.348 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . 0.509 ' O ' ' NE2' ' A' ' 135' ' ' GLN . 38.8 p-10 -89.46 -15.0 34.09 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-N 116.941 0.371 . . . . 0.0 110.555 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 89.37 5.6 72.19 Favored Glycine 0 N--CA 1.46 0.236 0 N-CA-C 110.144 -1.182 . . . . 0.0 110.144 179.402 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . 0.509 ' NE2' ' O ' ' A' ' 133' ' ' ASP . 3.2 mp0 -123.16 144.62 49.23 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-N 115.48 -0.36 . . . . 0.0 110.629 -178.76 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 49.0 t -92.16 109.99 22.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 N-CA-C 108.778 -0.823 . . . . 0.0 108.778 178.689 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . 0.468 ' CG ' ' H ' ' A' ' 138' ' ' TYR . 26.7 t-20 -93.67 175.62 6.67 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 109.975 -0.38 . . . . 0.0 109.975 179.564 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . 0.468 ' H ' ' CG ' ' A' ' 137' ' ' ASN . 76.2 t80 -53.81 -43.21 69.17 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.828 -178.824 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 80.0 tt0 -61.68 -46.59 89.07 Favored 'General case' 0 C--O 1.226 -0.182 0 C-N-CA 120.913 -0.315 . . . . 0.0 110.868 -179.399 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . 0.522 ' CD ' ' H ' ' A' ' 130' ' ' LEU . 65.3 mt-10 -70.63 -37.66 73.82 Favored 'General case' 0 C--N 1.321 -0.635 0 C-N-CA 119.825 -0.75 . . . . 0.0 109.873 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 50.6 t80 -63.79 -54.08 40.84 Favored 'General case' 0 C--O 1.232 0.14 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.601 179.711 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . 0.43 ' CG1' ' N ' ' A' ' 143' ' ' LYS . 7.0 p -61.01 -43.7 96.67 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.151 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 -179.132 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 143' ' ' LYS . . . . . 0.43 ' N ' ' CG1' ' A' ' 142' ' ' VAL . 66.5 tttm -60.47 -50.44 73.55 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.938 179.335 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 15.0 tmm? -62.87 -37.79 88.29 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.56 0.695 . . . . 0.0 109.567 179.174 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 43.1 tpp -64.59 -39.94 94.62 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 114.905 -1.043 . . . . 0.0 109.575 179.61 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 88.5 mtp -63.29 -35.15 79.41 Favored 'General case' 0 CA--C 1.52 -0.187 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 179.701 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 25.6 m -58.41 -71.7 0.11 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.576 179.72 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 80.4 t -68.85 -17.99 22.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.511 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 82.8 mtp180 . . . . . 0 C--O 1.221 -0.429 0 CA-C-O 118.038 -0.982 . . . . 0.0 110.569 -179.857 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 221' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 234' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 67.2 t0 . . . . . 0 N--CA 1.491 1.582 0 N-CA-C 109.997 -0.372 . . . . 0.0 109.997 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -46.98 -46.28 21.5 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 120.368 -0.533 . . . . 0.0 109.829 -179.702 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 38.7 tp10 -59.73 -32.26 70.39 Favored 'General case' 0 N--CA 1.45 -0.437 0 C-N-CA 120.866 -0.334 . . . . 0.0 110.348 -179.802 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 80.8 tt0 -75.62 -64.07 1.16 Allowed 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 108.688 -0.856 . . . . 0.0 108.688 178.284 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 83.1 tt0 -45.98 -46.77 16.55 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.063 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 66.7 mt -62.01 -44.68 96.2 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 120.313 -0.555 . . . . 0.0 110.478 179.338 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 89.0 tttt -65.03 -44.36 89.37 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.566 -0.454 . . . . 0.0 110.198 179.356 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 9.4 tm-20 -68.51 -52.6 30.41 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.533 -0.467 . . . . 0.0 110.242 179.645 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -52.18 -42.81 63.76 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 70.8 t80 -58.95 -43.55 91.26 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 109.897 -0.409 . . . . 0.0 109.897 179.094 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -60.4 -32.35 71.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.532 -0.304 . . . . 0.0 110.499 179.689 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 80.7 t -72.32 -41.88 65.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-O 120.897 0.38 . . . . 0.0 110.656 179.07 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -61.52 -35.1 76.77 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.848 -0.341 . . . . 0.0 110.359 -179.479 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.514 ' OD2' ' N ' ' A' ' 98' ' ' GLY . 38.8 t0 -72.75 70.99 0.99 Allowed 'General case' 0 C--N 1.323 -0.545 0 C-N-CA 120.503 -0.479 . . . . 0.0 110.954 -178.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -51.45 -46.41 63.04 Favored 'General case' 0 C--N 1.332 -0.17 0 C-N-CA 120.463 -0.495 . . . . 0.0 109.707 -179.357 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . 0.429 ' OD2' ' OE2' ' A' ' 104' ' ' GLU . 3.7 m-20 -76.99 5.53 7.85 Favored 'General case' 0 CA--C 1.513 -0.462 0 N-CA-C 110.001 -0.37 . . . . 0.0 110.001 -179.833 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 12.4 pt20 37.99 32.31 0.04 OUTLIER 'General case' 0 CA--C 1.531 0.235 0 O-C-N 123.326 0.391 . . . . 0.0 110.815 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . 0.408 ' N ' ' O ' ' A' ' 95' ' ' ASP . 43.7 p-10 -83.9 -5.69 59.27 Favored 'General case' 0 C--N 1.331 -0.208 0 C-N-CA 120.806 -0.358 . . . . 0.0 111.01 -178.424 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . 0.514 ' N ' ' OD2' ' A' ' 93' ' ' ASP . . . 97.91 -7.43 62.81 Favored Glycine 0 CA--C 1.528 0.868 0 N-CA-C 111.342 -0.703 . . . . 0.0 111.342 179.809 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 76.4 m-85 -134.12 138.55 45.3 Favored 'General case' 0 N--CA 1.467 0.419 0 O-C-N 122.789 -0.242 . . . . 0.0 110.418 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.433 HG22 HD12 ' A' ' 100' ' ' ILE . 23.8 mt -85.54 128.83 38.82 Favored 'Isoleucine or valine' 0 C--O 1.241 0.613 0 N-CA-C 108.944 -0.761 . . . . 0.0 108.944 179.104 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 30.3 t -96.07 155.3 16.82 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.532 -179.391 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -53.11 -42.66 66.2 Favored 'General case' 0 C--N 1.331 -0.229 0 C-N-CA 120.385 -0.526 . . . . 0.0 109.949 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 51.0 m -59.27 -43.12 92.52 Favored 'General case' 0 C--N 1.332 -0.195 0 C-N-CA 120.768 -0.373 . . . . 0.0 110.424 179.711 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.429 ' OE2' ' OD2' ' A' ' 95' ' ' ASP . 89.3 mt-10 -62.81 -38.47 90.84 Favored 'General case' 0 N--CA 1.444 -0.748 0 C-N-CA 120.612 -0.435 . . . . 0.0 110.259 179.574 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.516 ' CD1' ' SD ' ' A' ' 109' ' ' MET . 0.2 OUTLIER -63.14 -41.55 99.32 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-O 121.259 0.552 . . . . 0.0 110.058 179.743 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 82.2 mtm180 -63.87 -47.92 78.77 Favored 'General case' 0 C--O 1.22 -0.487 0 C-N-CA 120.403 -0.519 . . . . 0.0 109.857 -179.756 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 46.2 t-80 -51.8 -38.87 57.4 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 179.74 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 69.7 t -63.86 -42.24 95.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 116.22 -0.446 . . . . 0.0 109.827 178.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' MET . . . . . 0.571 ' SD ' ' N ' ' A' ' 109' ' ' MET . 0.0 OUTLIER -59.47 -42.97 93.25 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.538 -0.465 . . . . 0.0 110.111 -179.876 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 13.1 mm -63.55 -47.05 93.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 N-CA-C 109.506 -0.554 . . . . 0.0 109.506 179.728 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 8.1 t-20 -58.84 -34.89 72.07 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.774 -0.454 . . . . 0.0 109.774 179.569 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 40.6 mt -77.18 -3.07 37.66 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.919 179.83 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 77.05 17.14 80.06 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 179.789 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -116.11 140.71 49.01 Favored 'General case' 0 N--CA 1.466 0.351 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 15.9 pttm -131.31 106.66 8.43 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-O 120.884 0.374 . . . . 0.0 110.028 -179.739 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . 0.504 ' N ' ' CD1' ' A' ' 116' ' ' LEU . 8.1 mp -95.61 165.95 12.08 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.7 -0.481 . . . . 0.0 109.7 179.798 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 4.2 p -70.34 152.98 43.53 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.253 -0.579 . . . . 0.0 109.552 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 93.5 m-20 -63.18 -41.71 99.26 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.515 -0.474 . . . . 0.0 110.521 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -65.03 -31.23 72.37 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.776 -0.37 . . . . 0.0 110.422 179.859 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 15.6 tp10 -69.57 -43.08 73.59 Favored 'General case' 0 N--CA 1.448 -0.552 0 C-N-CA 120.545 -0.462 . . . . 0.0 109.97 179.142 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 79.1 t -65.49 -45.03 93.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 C-N-CA 120.606 -0.438 . . . . 0.0 109.971 -179.734 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -60.38 -41.61 94.16 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.71 -0.396 . . . . 0.0 110.456 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 83.8 mt-30 -64.93 -41.69 95.32 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 120.671 -0.412 . . . . 0.0 110.685 179.19 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 34.5 ttm -64.64 -42.4 95.48 Favored 'General case' 0 N--CA 1.449 -0.506 0 C-N-CA 120.82 -0.352 . . . . 0.0 110.204 179.798 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 7.1 mm -63.87 -45.77 96.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 121.129 0.49 . . . . 0.0 109.832 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -65.5 -42.84 91.66 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.852 179.113 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 42.3 tp10 -70.27 -36.27 74.31 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.961 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -73.2 -31.08 63.97 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.296 -179.432 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . 0.446 ' OD1' ' OD1' ' A' ' 133' ' ' ASP . 33.8 t0 -69.03 107.83 3.3 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.22 0.533 . . . . 0.0 111.748 -179.126 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . 0.517 ' H ' ' CD ' ' A' ' 140' ' ' GLU . 39.5 tp -87.91 -31.74 19.29 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.589 179.806 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 39.4 m-20 -77.29 -11.51 59.84 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.925 -0.31 . . . . 0.0 111.672 -178.528 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 69.06 30.46 72.06 Favored Glycine 0 CA--C 1.526 0.764 0 C-N-CA 120.407 -0.901 . . . . 0.0 111.358 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . 0.446 ' OD1' ' OD1' ' A' ' 129' ' ' ASP . 37.9 p-10 -100.43 -13.38 18.75 Favored 'General case' 0 N--CA 1.467 0.425 0 CA-C-N 117.115 0.457 . . . . 0.0 110.537 179.79 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 90.08 -2.22 81.29 Favored Glycine 0 N--CA 1.459 0.227 0 N-CA-C 110.205 -1.158 . . . . 0.0 110.205 179.68 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 13.6 mt-30 -113.54 138.12 50.6 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.694 0.283 . . . . 0.0 110.58 -178.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 37.4 t -82.67 113.85 22.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 N-CA-C 108.256 -1.016 . . . . 0.0 108.256 178.38 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . 0.416 ' CG ' ' N ' ' A' ' 138' ' ' TYR . 22.7 t-20 -97.02 172.47 7.83 Favored 'General case' 0 N--CA 1.469 0.493 0 N-CA-C 110.116 -0.327 . . . . 0.0 110.116 179.671 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . 0.416 ' N ' ' CG ' ' A' ' 137' ' ' ASN . 88.0 t80 -49.89 -48.65 51.31 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 120.674 -0.41 . . . . 0.0 111.086 -178.686 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 80.7 tt0 -59.28 -45.25 91.73 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.784 -0.366 . . . . 0.0 111.135 -179.738 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . 0.517 ' CD ' ' H ' ' A' ' 130' ' ' LEU . 69.4 mt-10 -68.92 -40.54 78.99 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 120.22 -0.592 . . . . 0.0 110.092 179.622 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 74.7 t80 -60.56 -49.06 79.06 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.136 -0.69 . . . . 0.0 109.136 179.317 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 44.6 t -60.79 -47.28 93.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 179.175 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 65.2 tttm -61.18 -46.68 89.49 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.893 179.752 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 51.9 ttp -62.68 -40.39 96.94 Favored 'General case' 0 CA--C 1.513 -0.474 0 CA-C-O 121.572 0.701 . . . . 0.0 109.31 178.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 37.3 tpp -65.02 -36.42 84.34 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.135 -0.939 . . . . 0.0 109.987 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 146' ' ' MET . . . . . 0.424 ' C ' ' N ' ' A' ' 148' ' ' VAL . 70.5 mtp -63.52 -40.0 95.91 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.985 -0.376 . . . . 0.0 109.985 179.422 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 27.0 m -48.56 -17.21 0.15 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.519 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 148' ' ' VAL . . . . . 0.424 ' N ' ' C ' ' A' ' 146' ' ' MET . 17.5 t -82.9 -4.24 8.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.533 179.844 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 . . . . . 0 C--O 1.219 -0.545 0 CA-C-O 117.904 -1.046 . . . . 0.0 110.413 179.552 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 221' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 234' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 . . . . . 0 N--CA 1.49 1.558 0 N-CA-C 110.082 -0.34 . . . . 0.0 110.082 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -54.41 -48.25 71.82 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 120.19 -0.604 . . . . 0.0 109.997 -179.769 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.421 ' OE1' ' O ' ' A' ' 82' ' ' GLU . 3.4 tm-20 -62.3 -27.92 69.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.922 0.391 . . . . 0.0 110.756 179.746 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -73.0 -67.92 0.53 Allowed 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 109.054 -0.721 . . . . 0.0 109.054 179.773 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -46.7 -43.56 17.97 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.645 -0.422 . . . . 0.0 110.487 -179.124 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 1.9 tt -61.48 -44.81 96.43 Favored 'General case' 0 C--N 1.333 -0.134 0 C-N-CA 120.294 -0.562 . . . . 0.0 110.557 179.715 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 34.2 ttmt -60.66 -37.13 80.54 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.345 -0.542 . . . . 0.0 110.532 179.107 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 9.0 tm-20 -68.64 -50.78 48.59 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-O 121.084 0.469 . . . . 0.0 110.265 179.57 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -52.89 -46.77 68.12 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-O 121.332 0.587 . . . . 0.0 110.128 179.572 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 46.4 t80 -56.18 -42.46 77.12 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.203 -0.453 . . . . 0.0 109.999 178.638 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.4 ttmp? -60.98 -32.07 71.64 Favored 'General case' 0 CA--C 1.53 0.187 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.478 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 91.1 t -70.18 -46.32 72.57 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.201 0 C-N-CA 120.579 -0.448 . . . . 0.0 110.484 179.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -65.5 -34.07 77.4 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.447 -0.501 . . . . 0.0 110.311 -179.745 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 32.9 t0 -69.61 59.24 0.14 Allowed 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.44 -0.504 . . . . 0.0 111.032 -179.625 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 29.1 ttpt -50.6 -47.61 58.08 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.356 -0.538 . . . . 0.0 110.084 -179.136 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . 0.43 ' OD2' ' OE2' ' A' ' 104' ' ' GLU . 4.3 m-20 -69.1 -8.62 46.98 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.159 0.504 . . . . 0.0 110.092 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 42.3 tp60 50.26 33.08 6.85 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.133 0.492 . . . . 0.0 110.088 -179.571 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 35.8 p-10 -93.57 8.61 40.1 Favored 'General case' 0 C--N 1.329 -0.312 0 O-C-N 121.949 -0.469 . . . . 0.0 111.307 -179.062 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 81.01 -7.93 58.57 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 111.293 -0.723 . . . . 0.0 111.293 179.684 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 39.8 m-85 -128.5 134.1 48.61 Favored 'General case' 0 N--CA 1.47 0.532 0 O-C-N 122.741 -0.27 . . . . 0.0 110.302 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 42.8 mt -83.92 125.72 40.19 Favored 'Isoleucine or valine' 0 C--O 1.235 0.31 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 178.765 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' SER . . . . . 0.55 ' HG ' ' N ' ' A' ' 102' ' ' ALA . 20.0 t -86.23 155.9 20.51 Favored 'General case' 0 N--CA 1.471 0.619 0 CA-C-N 116.596 -0.275 . . . . 0.0 110.456 -179.123 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . 0.55 ' N ' ' HG ' ' A' ' 101' ' ' SER . . . -52.93 -43.37 66.21 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.212 -0.595 . . . . 0.0 110.121 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' SER . . . . . 0.466 ' O ' ' CE1' ' A' ' 107' ' ' HIS . 49.7 m -58.88 -38.49 78.94 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-O 120.982 0.42 . . . . 0.0 110.446 179.388 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.43 ' OE2' ' OD2' ' A' ' 95' ' ' ASP . 93.3 mt-10 -69.14 -38.85 79.03 Favored 'General case' 0 N--CA 1.444 -0.763 0 C-N-CA 120.5 -0.48 . . . . 0.0 110.173 -179.856 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 27.6 tp -62.54 -42.73 99.72 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-O 121.358 0.599 . . . . 0.0 110.283 179.177 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 85.5 mtp180 -57.59 -46.37 84.11 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.356 -0.538 . . . . 0.0 110.28 178.861 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . 0.466 ' CE1' ' O ' ' A' ' 103' ' ' SER . 21.8 m170 -56.34 -41.01 75.39 Favored 'General case' 0 N--CA 1.456 -0.135 0 N-CA-C 109.673 -0.492 . . . . 0.0 109.673 179.608 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 82.5 t -61.78 -47.57 92.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.188 179.3 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' MET . . . . . 0.519 ' SD ' ' N ' ' A' ' 109' ' ' MET . 0.0 OUTLIER -58.9 -43.93 91.14 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.469 -0.492 . . . . 0.0 110.121 -179.884 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.417 HG21 HD11 ' A' ' 110' ' ' ILE . 92.6 mt -62.65 -42.76 97.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 C-N-CA 120.436 -0.506 . . . . 0.0 109.993 179.061 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . 0.4 ' OD1' ' C ' ' A' ' 111' ' ' ASN . 19.3 t-20 -64.04 -36.93 85.61 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.092 0.472 . . . . 0.0 109.94 -179.608 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -69.15 -5.51 22.91 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.04 179.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 85.02 15.88 66.29 Favored Glycine 0 CA--C 1.526 0.745 0 N-CA-C 110.926 -0.869 . . . . 0.0 110.926 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 19.3 pt-20 -122.16 139.22 54.01 Favored 'General case' 0 N--CA 1.467 0.42 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 179.71 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 10.8 mttp -130.72 113.8 14.58 Favored 'General case' 0 N--CA 1.467 0.408 0 N-CA-C 109.961 -0.385 . . . . 0.0 109.961 -179.662 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 45.0 mt -108.22 154.99 20.96 Favored 'General case' 0 N--CA 1.464 0.271 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 179.798 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 60.7 p -67.82 165.11 18.17 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.044 -0.662 . . . . 0.0 109.572 -179.515 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -62.38 -39.84 94.51 Favored 'General case' 0 C--N 1.332 -0.164 0 C-N-CA 120.32 -0.552 . . . . 0.0 110.799 -179.791 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -57.29 -36.52 71.15 Favored 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 120.718 -0.393 . . . . 0.0 110.603 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -71.6 -47.79 52.41 Favored 'General case' 0 N--CA 1.448 -0.565 0 C-N-CA 120.611 -0.436 . . . . 0.0 110.202 179.329 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 73.3 t -63.48 -47.11 93.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 C-N-CA 120.628 -0.429 . . . . 0.0 110.054 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 79.2 mt-10 -62.72 -39.54 94.38 Favored 'General case' 0 C--N 1.332 -0.189 0 C-N-CA 120.581 -0.447 . . . . 0.0 110.321 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 10.6 tp-100 -70.34 -38.64 74.9 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 120.604 -0.438 . . . . 0.0 110.607 179.121 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 41.0 tpp -65.07 -41.93 94.61 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-O 120.949 0.404 . . . . 0.0 110.22 -179.109 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . 0.5 ' O ' ' N ' ' A' ' 129' ' ' ASP . 58.1 mt -64.82 -46.21 92.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-O 121.189 0.519 . . . . 0.0 109.93 179.774 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -63.42 -42.57 98.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.522 179.394 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 33.2 tp10 -70.34 -33.01 70.96 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.12 0.486 . . . . 0.0 110.972 178.681 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -85.64 -29.37 24.1 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.791 -179.314 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . 0.5 ' N ' ' O ' ' A' ' 125' ' ' ILE . 35.4 t0 -61.98 93.69 0.05 OUTLIER 'General case' 0 CA--C 1.516 -0.35 0 C-N-CA 120.369 -0.533 . . . . 0.0 111.369 -179.079 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 3.8 tt -72.66 -36.3 67.91 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.443 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . 0.461 ' OD2' ' OE2' ' A' ' 140' ' ' GLU . 27.5 m-20 -76.21 -9.6 58.75 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 120.806 -0.358 . . . . 0.0 111.435 -178.475 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 65.73 30.52 77.46 Favored Glycine 0 CA--C 1.531 1.081 0 C-N-CA 120.185 -1.007 . . . . 0.0 111.374 -179.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . 0.468 ' N ' ' OD2' ' A' ' 129' ' ' ASP . 26.7 p-10 -99.61 -10.87 21.49 Favored 'General case' 0 C--N 1.337 0.065 0 O-C-N 122.316 -0.52 . . . . 0.0 110.379 179.679 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 84.37 2.89 88.96 Favored Glycine 0 C--N 1.331 0.28 0 N-CA-C 110.363 -1.095 . . . . 0.0 110.363 179.824 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 10.4 mt-30 -114.34 141.96 46.95 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-O 120.715 0.293 . . . . 0.0 110.571 -179.057 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 11.0 t -90.88 100.64 11.46 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.228 0 N-CA-C 108.429 -0.952 . . . . 0.0 108.429 178.757 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . 0.59 ' H ' ' CG ' ' A' ' 140' ' ' GLU . 61.2 t30 -97.98 -174.46 2.87 Favored 'General case' 0 N--CA 1.467 0.381 0 N-CA-C 110.06 -0.348 . . . . 0.0 110.06 -178.756 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . 0.449 ' H ' ' CG ' ' A' ' 137' ' ' ASN . 43.7 t80 -54.71 -47.02 74.24 Favored 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 120.515 -0.474 . . . . 0.0 111.356 -178.804 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -60.7 -52.1 66.54 Favored 'General case' 0 CA--C 1.519 -0.233 0 C-N-CA 120.603 -0.439 . . . . 0.0 111.55 -177.489 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . 0.59 ' CG ' ' H ' ' A' ' 137' ' ' ASN . 0.5 OUTLIER -66.92 -38.69 86.67 Favored 'General case' 0 C--N 1.312 -1.055 0 C-N-CA 120.348 -0.541 . . . . 0.0 110.108 -179.843 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . 0.455 ' O ' ' N ' ' A' ' 145' ' ' MET . 42.0 t80 -62.02 -50.52 71.7 Favored 'General case' 0 C--N 1.334 -0.102 0 N-CA-C 109.036 -0.727 . . . . 0.0 109.036 -179.703 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 24.6 t -60.25 -46.5 94.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 -179.422 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 63.8 tttp -61.83 -49.69 75.29 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.83 -0.623 . . . . 0.0 109.838 179.181 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 48.7 ttp -63.96 -40.4 96.34 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.567 0.699 . . . . 0.0 109.289 179.122 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 145' ' ' MET . . . . . 0.455 ' N ' ' O ' ' A' ' 141' ' ' PHE . 29.0 ttm -62.13 -39.32 92.15 Favored 'General case' 0 N--CA 1.442 -0.835 0 CA-C-N 115.198 -0.91 . . . . 0.0 109.706 -179.109 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 78.7 mtp -66.99 -39.81 87.24 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 120.642 -0.423 . . . . 0.0 110.1 179.856 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 98.9 m -55.9 -18.41 8.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.483 -179.592 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 95.5 t -54.19 -47.02 68.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.178 -179.494 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 97.2 mtt180 . . . . . 0 C--O 1.218 -0.597 0 CA-C-O 118.043 -0.98 . . . . 0.0 110.29 179.742 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 221' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 234' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 . . . . . 0 N--CA 1.49 1.574 0 N-CA-C 110.129 -0.323 . . . . 0.0 110.129 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -56.32 -48.66 76.27 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 120.446 -0.502 . . . . 0.0 110.008 -179.861 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.498 ' CD ' ' HH ' ' A' ' 138' ' ' TYR . 44.9 tp10 -66.45 -33.71 76.3 Favored 'General case' 0 N--CA 1.451 -0.389 0 C-N-CA 120.977 -0.289 . . . . 0.0 110.565 -179.712 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 71.7 mm-40 -58.93 -72.04 0.11 Allowed 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 179.097 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 65.8 mm-40 -45.46 -46.33 13.57 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.686 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -63.04 -43.03 99.8 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.303 -0.559 . . . . 0.0 109.963 -179.624 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -62.56 -39.15 92.74 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.416 -0.514 . . . . 0.0 109.973 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 81.0 tt0 -69.63 -50.21 46.39 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.612 -0.435 . . . . 0.0 110.325 179.567 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -54.85 -46.87 74.72 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 120.602 -0.439 . . . . 0.0 110.007 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.418 ' CD1' ' C ' ' A' ' 89' ' ' PHE . 27.6 t80 -56.33 -44.27 79.82 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.861 -0.422 . . . . 0.0 109.861 179.606 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 17.3 mmmt -61.84 -30.7 71.02 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.028 179.592 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 70.8 t -71.35 -46.16 66.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 C-N-CA 120.603 -0.439 . . . . 0.0 111.018 179.37 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -66.36 -33.35 75.52 Favored 'General case' 0 CA--C 1.513 -0.479 0 C-N-CA 120.723 -0.391 . . . . 0.0 110.724 -179.701 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.592 ' O ' ' N ' ' A' ' 96' ' ' GLN . 33.8 t0 -81.52 55.81 2.76 Favored 'General case' 0 C--N 1.321 -0.631 0 C-N-CA 120.699 -0.4 . . . . 0.0 111.629 -179.253 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.625 ' NZ ' ' CE1' ' A' ' 107' ' ' HIS . 97.5 mttt -43.06 -36.26 1.56 Allowed 'General case' 0 CA--C 1.53 0.2 0 C-N-CA 120.584 -0.446 . . . . 0.0 110.084 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . 0.422 ' O ' ' OD1' ' A' ' 95' ' ' ASP . 43.4 t0 -68.59 -19.25 64.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.525 179.738 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . 0.592 ' N ' ' O ' ' A' ' 93' ' ' ASP . 87.0 mt-30 54.27 33.03 17.34 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.654 179.862 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . 0.638 ' ND2' ' H ' ' A' ' 99' ' ' TYR . 0.0 OUTLIER -92.32 6.6 46.24 Favored 'General case' 0 N--CA 1.464 0.227 0 C-N-CA 121.052 -0.259 . . . . 0.0 111.111 -179.54 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 81.88 -3.89 77.63 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 111.459 -0.656 . . . . 0.0 111.459 179.58 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.638 ' H ' ' ND2' ' A' ' 97' ' ' ASN . 40.3 m-85 -133.77 137.11 44.97 Favored 'General case' 0 N--CA 1.467 0.412 0 O-C-N 122.746 -0.267 . . . . 0.0 110.355 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 54.2 mt -87.52 126.84 41.16 Favored 'Isoleucine or valine' 0 C--O 1.235 0.291 0 N-CA-C 108.745 -0.835 . . . . 0.0 108.745 178.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 30.3 m -94.33 163.1 13.57 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.77 -179.026 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -52.91 -43.88 66.56 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.415 -0.514 . . . . 0.0 109.745 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 66.0 m -58.12 -38.51 76.65 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 120.87 -0.332 . . . . 0.0 110.363 179.61 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -76.2 -40.22 52.84 Favored 'General case' 0 N--CA 1.441 -0.916 0 C-N-CA 120.784 -0.367 . . . . 0.0 110.131 179.065 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.42 -47.18 86.93 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-O 121.222 0.534 . . . . 0.0 110.378 -179.453 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 50.4 ptt85 -64.16 -42.96 96.51 Favored 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 120.487 -0.485 . . . . 0.0 109.86 179.812 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . 0.625 ' CE1' ' NZ ' ' A' ' 94' ' ' LYS . 14.5 t-80 -53.06 -40.65 64.17 Favored 'General case' 0 CA--C 1.521 -0.155 0 N-CA-C 109.557 -0.534 . . . . 0.0 109.557 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 53.2 t -65.11 -40.39 88.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.028 178.72 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 21.7 mmt -61.84 -44.91 95.89 Favored 'General case' 0 C--N 1.332 -0.156 0 C-N-CA 120.41 -0.516 . . . . 0.0 110.337 -179.39 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 2.1 mp -64.22 -44.61 97.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 C-N-CA 120.359 -0.537 . . . . 0.0 109.905 179.283 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -61.8 -34.6 76.2 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.662 -0.496 . . . . 0.0 109.662 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 43.9 mt -76.43 -4.64 43.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.057 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 82.8 17.29 68.22 Favored Glycine 0 CA--C 1.525 0.71 0 N-CA-C 110.706 -0.957 . . . . 0.0 110.706 179.827 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -115.94 133.83 55.61 Favored 'General case' 0 N--CA 1.466 0.345 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 179.682 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 12.7 ptpt -132.65 110.29 10.32 Favored 'General case' 0 N--CA 1.47 0.56 0 N-CA-C 110.205 -0.294 . . . . 0.0 110.205 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . 0.608 ' CD2' ' N ' ' A' ' 116' ' ' LEU . 0.9 OUTLIER -108.02 162.38 14.09 Favored 'General case' 0 N--CA 1.468 0.436 0 N-CA-C 109.63 -0.507 . . . . 0.0 109.63 -179.962 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 14.6 p -71.89 163.36 27.97 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -62.29 -38.76 90.6 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.549 -0.461 . . . . 0.0 110.405 -179.647 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -60.99 -33.35 73.11 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 120.77 -0.372 . . . . 0.0 110.702 179.835 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 72.7 mm-40 -73.28 -49.1 29.5 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.567 -0.453 . . . . 0.0 110.477 179.002 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 86.3 t -61.93 -47.81 91.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 C-N-CA 120.587 -0.445 . . . . 0.0 110.076 179.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -60.5 -39.31 87.26 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 120.797 -0.361 . . . . 0.0 110.178 179.678 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 69.9 mm-40 -68.68 -41.48 79.18 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.65 -0.42 . . . . 0.0 110.681 179.237 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 59.1 mtt -65.3 -43.14 92.04 Favored 'General case' 0 N--CA 1.445 -0.691 0 C-N-CA 120.709 -0.396 . . . . 0.0 110.769 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 59.1 mt -64.92 -45.88 93.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 121.309 0.576 . . . . 0.0 109.77 178.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 27.2 mmtp -64.12 -41.68 97.15 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.659 -0.701 . . . . 0.0 110.64 179.524 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 81.3 tt0 -71.84 -33.62 68.61 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.698 179.616 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -83.17 -28.32 29.43 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.859 -179.467 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . 0.435 ' OD1' ' OD1' ' A' ' 133' ' ' ASP . 26.7 t70 -71.5 112.05 7.31 Favored 'General case' 0 CA--C 1.511 -0.55 0 CA-C-O 121.17 0.509 . . . . 0.0 111.789 -179.211 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 8.2 tp -88.8 -24.33 22.63 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.756 -0.657 . . . . 0.0 111.613 179.544 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . 0.482 ' C ' ' H ' ' A' ' 133' ' ' ASP . 50.2 m-20 -82.71 -4.68 58.2 Favored 'General case' 0 C--N 1.331 -0.2 0 C-N-CA 120.979 -0.289 . . . . 0.0 111.756 -178.57 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 67.29 -7.05 1.99 Allowed Glycine 0 CA--C 1.527 0.792 0 C-N-CA 120.421 -0.895 . . . . 0.0 111.386 179.825 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . 0.482 ' H ' ' C ' ' A' ' 131' ' ' ASP . 30.2 p-10 -65.48 -13.35 58.64 Favored 'General case' 0 C--N 1.333 -0.115 0 C-N-CA 120.645 -0.422 . . . . 0.0 110.157 -179.543 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 80.57 12.39 82.99 Favored Glycine 0 C--N 1.329 0.147 0 N-CA-C 110.513 -1.035 . . . . 0.0 110.513 179.561 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 9.7 mt-30 -112.02 142.69 44.13 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.768 0.318 . . . . 0.0 110.459 -178.845 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 98.6 t -90.2 105.06 15.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 178.456 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . 0.552 ' ND2' ' CE2' ' A' ' 99' ' ' TYR . 19.9 t-20 -96.84 172.41 7.89 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-O 120.729 0.299 . . . . 0.0 110.233 -179.862 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . 0.498 ' HH ' ' CD ' ' A' ' 82' ' ' GLU . 30.3 t80 -53.37 -44.52 68.65 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.758 -0.377 . . . . 0.0 110.879 -178.768 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . 0.406 ' O ' HG11 ' A' ' 142' ' ' VAL . 12.7 tm-20 -60.58 -45.91 92.19 Favored 'General case' 0 C--O 1.223 -0.319 0 C-N-CA 120.815 -0.354 . . . . 0.0 110.946 -179.342 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -71.61 -37.73 70.91 Favored 'General case' 0 C--N 1.317 -0.845 0 C-N-CA 119.936 -0.706 . . . . 0.0 109.882 179.322 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . 0.457 ' O ' ' N ' ' A' ' 145' ' ' MET . 55.0 t80 -62.69 -54.31 41.18 Favored 'General case' 0 N--CA 1.453 -0.324 0 C-N-CA 120.084 -0.646 . . . . 0.0 110.294 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . 0.459 ' CG1' ' N ' ' A' ' 143' ' ' LYS . 7.5 p -59.91 -43.94 93.31 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.278 0 CA-C-O 121.357 0.598 . . . . 0.0 109.642 -179.41 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 143' ' ' LYS . . . . . 0.459 ' N ' ' CG1' ' A' ' 142' ' ' VAL . 20.1 tptm -63.03 -49.27 75.26 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.072 179.872 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 14.2 tmm? -64.52 -37.71 88.49 Favored 'General case' 0 CA--C 1.51 -0.564 0 CA-C-O 121.646 0.736 . . . . 0.0 109.184 178.814 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 145' ' ' MET . . . . . 0.457 ' N ' ' O ' ' A' ' 141' ' ' PHE . 35.9 tpp -60.47 -35.3 75.56 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 114.898 -1.046 . . . . 0.0 109.268 -179.785 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 146' ' ' MET . . . . . 0.433 ' C ' ' N ' ' A' ' 148' ' ' VAL . 54.1 mmm -74.68 -44.49 49.93 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 120.949 -0.301 . . . . 0.0 110.279 179.104 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 25.3 m -46.15 -18.53 0.05 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.67 -179.279 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 148' ' ' VAL . . . . . 0.437 ' CG2' ' O ' ' A' ' 145' ' ' MET . 13.0 m -56.04 -43.86 76.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.568 -179.446 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 75.0 ttt-85 . . . . . 0 C--O 1.219 -0.541 0 CA-C-O 117.954 -1.022 . . . . 0.0 110.208 179.156 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 221' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 234' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 33.0 tp10 . . . . . 0 C--O 1.231 0.091 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 50.6 tp10 -46.88 -44.87 19.98 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.694 -0.402 . . . . 0.0 110.269 -179.817 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 78.7 mt -63.34 -44.39 95.0 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 120.379 -0.528 . . . . 0.0 110.514 179.656 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -63.69 -40.57 97.14 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.63 -0.428 . . . . 0.0 110.313 179.348 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -61.82 -57.42 11.92 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 120.557 -0.457 . . . . 0.0 110.227 179.822 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -51.86 -44.31 63.61 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.517 -0.473 . . . . 0.0 109.823 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 40.7 t80 -56.94 -43.45 81.54 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 110.028 -0.36 . . . . 0.0 110.028 179.215 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 21.3 tptm -60.99 -32.8 72.36 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.649 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 95.7 t -69.86 -46.74 72.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 C-N-CA 120.62 -0.432 . . . . 0.0 110.725 179.542 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -64.98 -34.12 77.68 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.629 -0.428 . . . . 0.0 110.39 179.809 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.473 ' O ' ' N ' ' A' ' 96' ' ' GLN . 30.1 t0 -71.62 59.73 0.32 Allowed 'General case' 0 C--N 1.323 -0.583 0 C-N-CA 120.625 -0.43 . . . . 0.0 110.674 -179.379 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 64.6 tttm -48.16 -45.93 33.96 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.48 -0.488 . . . . 0.0 110.023 -179.229 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' ASP . . . . . 0.436 ' OD2' ' OE2' ' A' ' 104' ' ' GLU . 5.4 m-20 -72.16 -8.89 57.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.938 0.399 . . . . 0.0 110.199 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 96' ' ' GLN . . . . . 0.473 ' N ' ' O ' ' A' ' 93' ' ' ASP . 37.7 tt0 52.08 32.37 10.26 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.005 -179.668 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 97' ' ' ASN . . . . . 0.435 ' OD1' ' O ' ' A' ' 99' ' ' TYR . 46.7 p-10 -89.37 8.67 29.47 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 120.817 -0.353 . . . . 0.0 111.194 -179.104 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 98' ' ' GLY . . . . . 0.456 ' N ' ' OD2' ' A' ' 93' ' ' ASP . . . 79.15 -6.65 56.01 Favored Glycine 0 CA--C 1.526 0.723 0 N-CA-C 111.468 -0.653 . . . . 0.0 111.468 179.435 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.435 ' O ' ' OD1' ' A' ' 97' ' ' ASN . 34.9 m-85 -130.27 134.61 47.35 Favored 'General case' 0 N--CA 1.467 0.408 0 N-CA-C 110.234 -0.284 . . . . 0.0 110.234 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.407 HG21 HD13 ' A' ' 100' ' ' ILE . 16.0 mt -84.16 128.2 39.09 Favored 'Isoleucine or valine' 0 C--O 1.236 0.373 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 179.027 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 5.3 p -94.01 156.86 16.38 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.554 -179.28 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -52.88 -42.61 65.46 Favored 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 120.381 -0.528 . . . . 0.0 110.047 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' SER . . . . . 0.45 ' HA ' ' HE ' ' A' ' 106' ' ' ARG . 50.5 m -59.77 -41.58 91.39 Favored 'General case' 0 C--N 1.331 -0.207 0 C-N-CA 120.772 -0.371 . . . . 0.0 110.669 179.516 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.436 ' OE2' ' OD2' ' A' ' 95' ' ' ASP . 87.8 mt-10 -64.07 -38.96 92.97 Favored 'General case' 0 N--CA 1.443 -0.808 0 C-N-CA 120.67 -0.412 . . . . 0.0 110.354 179.545 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.417 HD23 HD11 ' A' ' 125' ' ' ILE . 26.2 tp -63.97 -43.87 94.45 Favored 'General case' 0 CA--C 1.53 0.191 0 CA-C-O 121.042 0.449 . . . . 0.0 110.214 179.205 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 106' ' ' ARG . . . . . 0.45 ' HE ' ' HA ' ' A' ' 103' ' ' SER . 84.8 mtm180 -59.23 -49.94 75.92 Favored 'General case' 0 C--O 1.218 -0.581 0 C-N-CA 120.344 -0.542 . . . . 0.0 110.347 -179.691 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 11.8 t-80 -53.68 -40.45 65.96 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 120.696 -0.402 . . . . 0.0 110.065 179.429 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 77.7 t -63.49 -43.54 98.4 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 N-CA-C 109.89 -0.411 . . . . 0.0 109.89 179.144 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 14.5 mmt -57.33 -41.46 80.01 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.483 -0.487 . . . . 0.0 109.973 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.403 HG12 ' O ' ' A' ' 106' ' ' ARG . 11.5 mm -65.29 -42.98 95.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 C-N-CA 120.648 -0.421 . . . . 0.0 109.875 179.218 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 15.1 t30 -59.52 -36.82 76.83 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.152 179.594 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 9.0 mp -77.01 -4.22 43.07 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.927 179.566 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 78.83 19.75 72.34 Favored Glycine 0 CA--C 1.526 0.738 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -117.68 138.54 51.92 Favored 'General case' 0 N--CA 1.466 0.348 0 N-CA-C 109.748 -0.464 . . . . 0.0 109.748 179.59 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -137.44 112.64 9.17 Favored 'General case' 0 N--CA 1.468 0.461 0 N-CA-C 110.192 -0.299 . . . . 0.0 110.192 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 48.5 mt -102.65 163.16 12.38 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 109.646 -0.501 . . . . 0.0 109.646 179.735 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 1.2 m -68.54 162.14 26.37 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.126 -0.63 . . . . 0.0 109.632 -179.755 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 91.0 m-20 -60.3 -38.62 84.2 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.376 -0.53 . . . . 0.0 110.23 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -65.6 -31.89 73.17 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.754 -0.378 . . . . 0.0 110.497 179.325 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 120' ' ' GLU . . . . . 0.546 ' OE1' ' N ' ' A' ' 120' ' ' GLU . 0.2 OUTLIER -70.51 -49.29 49.82 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.471 -0.492 . . . . 0.0 110.259 179.26 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 85.7 t -63.54 -47.29 92.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 C-N-CA 120.521 -0.472 . . . . 0.0 110.216 179.735 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 44.2 tp10 -56.54 -39.05 72.74 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.796 -0.362 . . . . 0.0 110.41 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 81.8 mt-30 -67.24 -37.95 84.39 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 120.703 -0.399 . . . . 0.0 110.737 179.015 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 39.2 ttm -63.12 -44.18 96.34 Favored 'General case' 0 N--CA 1.45 -0.461 0 C-N-CA 120.78 -0.368 . . . . 0.0 110.417 -179.651 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 125' ' ' ILE . . . . . 0.417 HD11 HD23 ' A' ' 105' ' ' LEU . 48.1 mm -61.54 -48.72 87.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 C-N-CA 120.585 -0.446 . . . . 0.0 110.048 179.189 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 48.7 mtmt -64.52 -44.94 89.29 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.239 179.548 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 81.2 tt0 -66.49 -38.43 87.24 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.14 -179.767 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -75.87 -29.9 58.69 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.441 -179.069 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 129' ' ' ASP . . . . . 0.545 ' OD2' ' N ' ' A' ' 133' ' ' ASP . 33.1 t0 -75.81 115.21 15.28 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.186 0.517 . . . . 0.0 111.897 -178.834 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 53.7 tp -85.32 -27.27 26.03 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.379 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 131' ' ' ASP . . . . . 0.455 ' OD1' ' OD1' ' A' ' 129' ' ' ASP . 44.1 p30 -100.29 12.26 37.51 Favored 'General case' 0 N--CA 1.465 0.275 0 C-N-CA 121.156 -0.217 . . . . 0.0 111.378 -178.784 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 44.94 26.22 1.14 Allowed Glycine 0 CA--C 1.529 0.957 0 C-N-CA 120.361 -0.923 . . . . 0.0 111.345 179.674 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 133' ' ' ASP . . . . . 0.545 ' N ' ' OD2' ' A' ' 129' ' ' ASP . 19.0 p-10 -72.03 -16.65 62.05 Favored 'General case' 0 N--CA 1.462 0.155 0 C-N-CA 120.713 -0.395 . . . . 0.0 110.472 179.593 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 94.0 -10.59 71.83 Favored Glycine 0 C--O 1.229 -0.21 0 N-CA-C 110.382 -1.087 . . . . 0.0 110.382 179.643 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 22.7 mt-30 -117.69 138.88 51.7 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-O 120.676 0.274 . . . . 0.0 110.682 -178.847 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 75.3 t -81.86 116.2 25.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 N-CA-C 108.538 -0.912 . . . . 0.0 108.538 178.639 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 18.1 t-20 -93.02 165.43 12.86 Favored 'General case' 0 N--CA 1.469 0.504 0 N-CA-C 109.943 -0.391 . . . . 0.0 109.943 179.653 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 85.1 t80 -49.52 -48.75 47.93 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.532 -0.467 . . . . 0.0 111.017 -178.767 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 139' ' ' GLU . . . . . 0.436 ' CG ' ' N ' ' A' ' 140' ' ' GLU . 6.5 pt-20 -58.01 -41.48 83.17 Favored 'General case' 0 C--O 1.225 -0.223 0 CA-C-O 121.026 0.441 . . . . 0.0 110.972 -179.229 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 140' ' ' GLU . . . . . 0.436 ' N ' ' CG ' ' A' ' 139' ' ' GLU . 82.8 mt-10 -70.13 -39.23 75.54 Favored 'General case' 0 C--N 1.321 -0.636 0 C-N-CA 120.052 -0.659 . . . . 0.0 109.82 179.736 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 58.6 t80 -62.78 -55.79 23.37 Favored 'General case' 0 N--CA 1.452 -0.335 0 C-N-CA 120.184 -0.606 . . . . 0.0 110.354 -179.646 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 142' ' ' VAL . . . . . 0.51 HG13 ' N ' ' A' ' 143' ' ' LYS . 14.8 p -57.59 -43.32 83.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 -179.755 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 143' ' ' LYS . . . . . 0.51 ' N ' HG13 ' A' ' 142' ' ' VAL . 55.7 tttp -60.79 -49.51 77.18 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.889 -0.596 . . . . 0.0 109.794 179.109 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 56.8 ttp -62.24 -39.07 91.64 Favored 'General case' 0 CA--C 1.514 -0.406 0 CA-C-O 121.439 0.638 . . . . 0.0 109.333 178.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 39.4 ttm -64.88 -39.07 92.96 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 115.155 -0.929 . . . . 0.0 109.978 179.787 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 87.2 mtp -63.72 -37.23 86.59 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 110.026 -0.361 . . . . 0.0 110.026 179.443 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 98.2 m . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.475 -179.791 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 14.1 tm-20 . . . . . 0 N--CA 1.456 -0.13 0 N-CA-C 109.022 -0.733 . . . . 0.0 109.022 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -45.45 -44.99 12.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.493 -179.747 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 80.5 mt -61.88 -44.9 95.87 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 120.36 -0.536 . . . . 0.0 110.44 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.411 ' HZ3' ' HB3' ' A' ' 86' ' ' LYS . 0.5 OUTLIER -63.73 -42.31 97.92 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 120.387 -0.525 . . . . 0.0 110.452 179.402 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 14.0 tm-20 -64.96 -55.03 21.51 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 120.463 -0.495 . . . . 0.0 110.22 179.772 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -51.69 -44.75 63.23 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 120.45 -0.5 . . . . 0.0 109.685 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 44.7 t80 -56.15 -46.28 79.33 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.738 -0.385 . . . . 0.0 110.158 179.622 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -58.42 -32.91 69.1 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.522 -0.308 . . . . 0.0 110.792 179.224 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 91.6 t -69.15 -47.32 75.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 C-N-CA 120.589 -0.445 . . . . 0.0 110.868 179.226 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -65.14 -34.77 79.18 Favored 'General case' 0 CA--C 1.517 -0.308 0 C-N-CA 120.726 -0.39 . . . . 0.0 110.367 179.596 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.443 ' OD2' ' N ' ' A' ' 98' ' ' GLY . 43.1 t0 -73.03 61.94 0.6 Allowed 'General case' 0 C--N 1.323 -0.567 0 C-N-CA 120.688 -0.405 . . . . 0.0 110.476 -179.353 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -50.61 -46.45 58.05 Favored 'General case' 0 C--N 1.333 -0.145 0 C-N-CA 120.472 -0.491 . . . . 0.0 110.154 -179.275 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' ASP . . . . . 0.461 ' OD2' ' OE2' ' A' ' 104' ' ' GLU . 4.9 m-20 -70.12 -5.56 27.9 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.931 0.396 . . . . 0.0 110.194 -179.866 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 43.7 tp60 49.25 26.11 1.43 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.238 -179.522 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 39.2 p-10 -80.69 2.61 25.2 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 120.763 -0.375 . . . . 0.0 111.187 -179.247 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' GLY . . . . . 0.443 ' N ' ' OD2' ' A' ' 93' ' ' ASP . . . 84.88 -6.4 78.77 Favored Glycine 0 CA--C 1.527 0.807 0 N-CA-C 111.252 -0.739 . . . . 0.0 111.252 179.628 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 68.7 m-85 -132.05 136.71 47.41 Favored 'General case' 0 N--CA 1.468 0.436 0 N-CA-C 110.235 -0.283 . . . . 0.0 110.235 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 20.9 mt -82.68 123.67 38.66 Favored 'Isoleucine or valine' 0 C--O 1.235 0.317 0 N-CA-C 108.844 -0.798 . . . . 0.0 108.844 179.175 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 9.2 p -89.02 155.08 19.7 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.715 -179.229 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -53.89 -42.88 69.17 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.374 -0.531 . . . . 0.0 109.958 179.839 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 49.7 m -59.2 -41.88 89.61 Favored 'General case' 0 C--O 1.234 0.283 0 C-N-CA 120.754 -0.378 . . . . 0.0 110.533 179.677 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.461 ' OE2' ' OD2' ' A' ' 95' ' ' ASP . 91.7 mt-10 -64.7 -37.83 88.91 Favored 'General case' 0 N--CA 1.443 -0.783 0 C-N-CA 120.667 -0.413 . . . . 0.0 110.436 179.274 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 32.6 tp -62.41 -42.3 99.33 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-O 120.804 0.335 . . . . 0.0 110.155 179.248 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 96.3 mtt-85 -61.4 -46.05 91.79 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.512 -0.475 . . . . 0.0 109.907 -179.619 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 11.8 t-160 -57.95 -42.84 85.78 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 120.499 -0.48 . . . . 0.0 109.758 179.386 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.408 HG23 ' O ' ' A' ' 104' ' ' GLU . 79.4 t -62.36 -46.62 96.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 C-N-CA 120.67 -0.412 . . . . 0.0 110.041 179.332 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 109' ' ' MET . . . . . 0.705 ' SD ' HD23 ' A' ' 116' ' ' LEU . 43.6 mtt -58.56 -41.77 86.39 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.586 -0.446 . . . . 0.0 110.028 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 97.2 mt -64.78 -43.42 96.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 C-N-CA 120.575 -0.45 . . . . 0.0 109.922 178.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 24.6 t-20 -60.83 -35.54 76.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.172 179.703 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 8.6 mp -76.32 -3.29 35.95 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.087 179.517 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 80.43 15.94 77.13 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -112.93 132.02 55.5 Favored 'General case' 0 N--CA 1.467 0.385 0 N-CA-C 109.57 -0.53 . . . . 0.0 109.57 179.661 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 15.9 pttp -130.46 107.49 9.27 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-O 120.871 0.367 . . . . 0.0 110.457 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.871 HD22 ' N ' ' A' ' 116' ' ' LEU . 0.8 OUTLIER -101.32 157.44 16.79 Favored 'General case' 0 CA--C 1.516 -0.349 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 117' ' ' THR . . . . . 0.4 HG22 ' N ' ' A' ' 118' ' ' ASP . 11.6 m -65.02 160.34 21.12 Favored 'General case' 0 N--CA 1.453 -0.301 0 N-CA-C 109.408 -0.589 . . . . 0.0 109.408 -179.693 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 118' ' ' ASP . . . . . 0.4 ' N ' HG22 ' A' ' 117' ' ' THR . 93.4 m-20 -61.09 -38.99 88.24 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.535 -0.466 . . . . 0.0 110.323 -179.588 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -61.45 -32.46 72.45 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.705 -0.398 . . . . 0.0 110.461 179.773 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -72.54 -48.86 36.87 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 120.544 -0.463 . . . . 0.0 110.463 179.087 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 91.9 t -62.17 -47.24 94.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 C-N-CA 120.578 -0.449 . . . . 0.0 109.914 179.677 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 69.2 mm-40 -58.39 -38.45 77.35 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.715 -0.394 . . . . 0.0 110.494 179.578 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 82.5 mt-30 -69.48 -39.4 77.69 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 120.667 -0.413 . . . . 0.0 110.679 178.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 58.2 ttm -61.41 -44.44 97.13 Favored 'General case' 0 N--CA 1.449 -0.511 0 C-N-CA 120.735 -0.386 . . . . 0.0 110.413 -179.691 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 43.4 mm -62.78 -47.35 93.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 N-CA-C 109.689 -0.485 . . . . 0.0 109.689 179.841 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 53.2 mtmt -65.15 -44.0 89.99 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.923 179.077 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 38.9 tp10 -67.17 -37.15 83.26 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.64 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -76.26 -28.94 57.27 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.203 -179.53 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 87.2 m-20 -77.21 116.3 17.72 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.289 0.566 . . . . 0.0 111.417 -179.221 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 5.9 tt -82.17 -26.31 33.52 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.408 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 40.3 p30 -108.17 15.3 24.3 Favored 'General case' 0 N--CA 1.467 0.394 0 N-CA-C 111.629 0.233 . . . . 0.0 111.629 -179.193 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 39.75 52.44 3.15 Favored Glycine 0 CA--C 1.529 0.919 0 C-N-CA 120.672 -0.775 . . . . 0.0 111.347 179.77 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 133' ' ' ASP . . . . . 0.544 ' OD1' ' N ' ' A' ' 134' ' ' GLY . 43.7 p-10 -96.41 -17.77 20.37 Favored 'General case' 0 N--CA 1.467 0.38 0 O-C-N 122.563 -0.375 . . . . 0.0 110.242 -179.891 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 134' ' ' GLY . . . . . 0.544 ' N ' ' OD1' ' A' ' 133' ' ' ASP . . . 97.66 -12.14 64.57 Favored Glycine 0 C--N 1.33 0.224 0 N-CA-C 110.382 -1.087 . . . . 0.0 110.382 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 135' ' ' GLN . . . . . 0.494 ' N ' ' OD1' ' A' ' 133' ' ' ASP . 5.2 mt-30 -115.91 131.16 57.02 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-O 120.735 0.302 . . . . 0.0 110.522 -178.674 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 36.6 t -81.69 119.21 30.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 N-CA-C 108.522 -0.918 . . . . 0.0 108.522 178.254 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 54.4 t30 -94.65 168.74 10.65 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-O 120.75 0.31 . . . . 0.0 110.169 179.368 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 138' ' ' TYR . . . . . 0.431 ' CE2' HG21 ' A' ' 142' ' ' VAL . 74.3 t80 -50.67 -46.87 58.79 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.717 -0.393 . . . . 0.0 110.996 -178.638 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 42.9 tp10 -58.81 -46.0 88.65 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.753 -0.379 . . . . 0.0 111.024 -179.474 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 66.6 mt-10 -66.13 -39.28 89.74 Favored 'General case' 0 N--CA 1.451 -0.417 0 C-N-CA 120.166 -0.614 . . . . 0.0 110.272 179.737 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 53.2 t80 -63.15 -49.8 72.89 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 178.892 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 142' ' ' VAL . . . . . 0.431 HG21 ' CE2' ' A' ' 138' ' ' TYR . 39.8 t -59.36 -46.88 92.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 N-CA-C 108.987 -0.745 . . . . 0.0 108.987 179.531 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -61.91 -49.19 77.18 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.737 179.61 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 14.2 tmm? -62.17 -39.72 93.58 Favored 'General case' 0 CA--C 1.512 -0.491 0 CA-C-O 121.544 0.687 . . . . 0.0 109.478 178.66 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 31.0 ttm -62.19 -38.76 90.32 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 115.124 -0.944 . . . . 0.0 109.871 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 56.6 mtm -64.53 -39.96 94.73 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 120.755 -0.378 . . . . 0.0 110.12 179.184 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 25.8 m . . . . . 0 C--N 1.328 -0.362 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.299 -179.86 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 82.3 tt0 . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 108.978 -0.749 . . . . 0.0 108.978 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -46.45 -44.02 17.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.217 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.535 HD23 ' OH ' ' A' ' 138' ' ' TYR . 51.2 tp -62.92 -44.72 95.31 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.291 -0.563 . . . . 0.0 110.199 179.837 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 89.2 tttt -60.9 -37.65 82.97 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.721 -0.392 . . . . 0.0 110.109 -179.48 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -66.99 -51.84 50.05 Favored 'General case' 0 N--CA 1.451 -0.419 0 C-N-CA 120.704 -0.398 . . . . 0.0 110.238 179.397 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -52.88 -46.28 67.85 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 120.475 -0.49 . . . . 0.0 109.899 -179.491 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 69.8 t80 -56.32 -44.81 80.31 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 109.921 -0.4 . . . . 0.0 109.921 179.662 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 16.5 mmmt -60.14 -34.28 73.32 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.819 179.512 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 84.7 t -68.91 -42.68 82.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.769 179.312 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.458 ' CZ ' HG11 ' A' ' 108' ' ' VAL . 5.0 m-85 -61.6 -35.43 77.84 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.58 -179.667 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.59 ' OD2' ' N ' ' A' ' 98' ' ' GLY . 6.9 t0 -72.08 72.29 0.87 Allowed 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.136 0.493 . . . . 0.0 110.848 -178.896 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 25.2 mtpp -50.95 -48.52 60.96 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 120.125 -0.63 . . . . 0.0 110.407 -179.354 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' ASP . . . . . 0.481 ' OD1' ' N ' ' A' ' 97' ' ' ASN . 7.7 p30 -79.37 -0.5 32.99 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.819 0.342 . . . . 0.0 110.512 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 96' ' ' GLN . . . . . 0.402 ' CD ' ' O ' ' A' ' 96' ' ' GLN . 0.4 OUTLIER 50.44 37.64 16.18 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.556 179.9 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 97' ' ' ASN . . . . . 0.481 ' N ' ' OD1' ' A' ' 95' ' ' ASP . 52.0 p-10 -85.06 -2.66 58.24 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.772 -0.371 . . . . 0.0 111.28 -179.208 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 98' ' ' GLY . . . . . 0.59 ' N ' ' OD2' ' A' ' 93' ' ' ASP . . . 90.53 -4.53 82.31 Favored Glycine 0 CA--C 1.53 1.028 0 N-CA-C 111.583 -0.607 . . . . 0.0 111.583 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 32.0 m-85 -128.67 172.26 11.4 Favored 'General case' 0 N--CA 1.467 0.419 0 N-CA-C 109.452 -0.574 . . . . 0.0 109.452 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 21.3 mt -120.43 130.37 74.51 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.48 0 N-CA-C 108.794 -0.817 . . . . 0.0 108.794 178.739 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 39.7 t -107.11 154.88 20.5 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.58 -179.586 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -52.22 -39.5 60.34 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 -179.688 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' SER . . . . . 0.428 ' O ' ' HG2' ' A' ' 106' ' ' ARG . 38.9 t -60.88 -43.08 98.93 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-O 121.056 0.455 . . . . 0.0 110.137 179.627 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.508 ' O ' HG23 ' A' ' 108' ' ' VAL . 92.8 mt-10 -71.23 -41.72 69.82 Favored 'General case' 0 N--CA 1.442 -0.85 0 C-N-CA 120.507 -0.477 . . . . 0.0 110.625 179.379 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 46.4 tp -65.7 -45.32 83.2 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-O 120.77 0.319 . . . . 0.0 111.47 179.631 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 106' ' ' ARG . . . . . 0.489 ' CG ' ' N ' ' A' ' 107' ' ' HIS . 11.5 ptm180 -64.87 -46.88 79.96 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.224 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 107' ' ' HIS . . . . . 0.489 ' N ' ' CG ' ' A' ' 106' ' ' ARG . 13.4 t-80 -57.58 -43.25 84.46 Favored 'General case' 0 CA--C 1.517 -0.294 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 -179.565 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.508 HG23 ' O ' ' A' ' 104' ' ' GLU . 72.5 t -65.55 -43.11 94.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.979 178.838 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 3.3 mmt -60.62 -39.88 89.83 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.688 -0.405 . . . . 0.0 110.211 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 98.1 mt -65.29 -44.11 94.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 N-CA-C 109.888 -0.412 . . . . 0.0 109.888 179.101 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 13.9 t30 -60.34 -26.53 66.65 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.084 -0.507 . . . . 0.0 109.937 179.724 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.465 HD13 ' O ' ' A' ' 108' ' ' VAL . 8.0 mp -87.42 0.82 54.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.105 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 84.92 9.98 79.69 Favored Glycine 0 CA--C 1.524 0.597 0 N-CA-C 110.905 -0.878 . . . . 0.0 110.905 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -111.47 123.68 50.71 Favored 'General case' 0 N--CA 1.465 0.305 0 N-CA-C 109.856 -0.424 . . . . 0.0 109.856 179.62 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 16.3 ptmt -136.44 112.3 9.54 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 121.058 0.456 . . . . 0.0 110.37 -179.496 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 25.2 mt -101.04 157.57 16.66 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.449 -0.575 . . . . 0.0 109.449 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 117' ' ' THR . . . . . 0.474 ' N ' ' OE1' ' A' ' 120' ' ' GLU . 11.6 m -64.15 162.8 13.74 Favored 'General case' 0 N--CA 1.453 -0.304 0 N-CA-C 109.117 -0.698 . . . . 0.0 109.117 -179.593 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 118' ' ' ASP . . . . . 0.423 ' N ' HG22 ' A' ' 117' ' ' THR . 97.8 m-20 -61.33 -39.31 90.07 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 120.701 -0.4 . . . . 0.0 110.153 -179.407 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -65.29 -31.56 72.76 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 120.764 -0.374 . . . . 0.0 110.487 179.671 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 120' ' ' GLU . . . . . 0.474 ' OE1' ' N ' ' A' ' 117' ' ' THR . 69.7 mt-10 -70.04 -47.2 62.99 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.644 -0.422 . . . . 0.0 110.305 178.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 69.0 t -64.32 -45.73 95.22 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 C-N-CA 120.665 -0.414 . . . . 0.0 109.994 179.557 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 34.7 tp10 -57.42 -37.7 73.2 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 86.9 mt-30 -71.26 -40.71 70.79 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.662 179.039 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 34.1 ttm -62.3 -46.46 88.66 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-O 120.776 0.322 . . . . 0.0 110.443 -179.699 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 7.5 mm -62.89 -48.16 89.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 179.743 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 29.2 mmtp -64.62 -43.32 94.13 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.969 179.656 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 80.8 tt0 -69.56 -37.07 76.87 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.74 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -78.11 -29.9 49.19 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.594 -179.343 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 129' ' ' ASP . . . . . 0.529 ' OD2' ' N ' ' A' ' 133' ' ' ASP . 67.1 t0 -77.42 119.93 21.71 Favored 'General case' 0 CA--C 1.51 -0.568 0 CA-C-O 121.255 0.55 . . . . 0.0 111.593 -179.423 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 7.1 tp -84.96 -21.07 29.71 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.42 -0.809 . . . . 0.0 111.309 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 131' ' ' ASP . . . . . 0.403 ' OD1' ' C ' ' A' ' 131' ' ' ASP . 19.6 p30 -110.62 12.19 22.72 Favored 'General case' 0 N--CA 1.47 0.565 0 N-CA-C 111.568 0.21 . . . . 0.0 111.568 -179.009 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 41.19 30.31 0.43 Allowed Glycine 0 CA--C 1.528 0.872 0 N-CA-C 111.191 -0.763 . . . . 0.0 111.191 179.73 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 133' ' ' ASP . . . . . 0.529 ' N ' ' OD2' ' A' ' 129' ' ' ASP . 43.0 p-10 -72.01 -18.67 61.95 Favored 'General case' 0 C--O 1.231 0.125 0 C-N-CA 120.792 -0.363 . . . . 0.0 110.413 -179.792 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 98.12 -7.66 62.5 Favored Glycine 0 C--N 1.332 0.332 0 N-CA-C 110.373 -1.091 . . . . 0.0 110.373 179.819 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 13.4 mt-30 -120.97 135.12 55.28 Favored 'General case' 0 N--CA 1.454 -0.269 0 N-CA-C 110.171 -0.307 . . . . 0.0 110.171 -178.37 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 99.2 t -84.27 118.51 31.66 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 N-CA-C 108.613 -0.884 . . . . 0.0 108.613 178.264 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 49.4 p-10 -93.86 170.94 9.18 Favored 'General case' 0 N--CA 1.467 0.384 0 N-CA-C 109.862 -0.422 . . . . 0.0 109.862 179.389 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 138' ' ' TYR . . . . . 0.535 ' OH ' HD23 ' A' ' 85' ' ' LEU . 60.7 t80 -54.26 -45.1 72.33 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.951 -0.3 . . . . 0.0 111.16 -178.529 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 41.0 tp10 -58.39 -45.06 89.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.836 0.351 . . . . 0.0 110.654 -179.415 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -72.39 -35.85 68.52 Favored 'General case' 0 N--CA 1.446 -0.641 0 C-N-CA 119.841 -0.743 . . . . 0.0 109.537 179.814 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 64.5 t80 -62.83 -55.0 30.27 Favored 'General case' 0 C--O 1.232 0.16 0 C-N-CA 120.494 -0.482 . . . . 0.0 110.371 179.73 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 142' ' ' VAL . . . . . 0.518 HG13 ' N ' ' A' ' 143' ' ' LYS . 11.6 p -59.37 -43.24 89.78 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.139 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 143' ' ' LYS . . . . . 0.518 ' N ' HG13 ' A' ' 142' ' ' VAL . 3.6 ttmp? -61.09 -49.85 75.64 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.857 -0.61 . . . . 0.0 109.96 179.393 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 56.8 ttp -60.62 -39.41 88.1 Favored 'General case' 0 CA--C 1.512 -0.512 0 CA-C-N 115.639 -0.709 . . . . 0.0 109.293 179.42 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 47.5 ttm -66.12 -39.99 90.36 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 114.831 -1.077 . . . . 0.0 110.118 179.158 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 11.6 mmt -61.29 -37.49 83.36 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 26.5 m . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.544 179.974 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 . . . . . 0 N--CA 1.455 -0.189 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 76.1 mm-40 -43.36 -38.11 2.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.68 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 37.8 mt -61.81 -43.85 98.03 Favored 'General case' 0 C--O 1.231 0.128 0 C-N-CA 120.424 -0.51 . . . . 0.0 110.232 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 48.0 mttp -61.8 -41.4 97.71 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.424 -0.51 . . . . 0.0 110.15 179.228 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 13.8 tm-20 -64.75 -53.87 40.25 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 120.491 -0.483 . . . . 0.0 110.139 179.721 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -55.09 -49.35 71.9 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.911 0.386 . . . . 0.0 109.968 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 33.3 t80 -58.0 -41.87 83.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.042 179.711 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.627 ' HG3' HE22 ' A' ' 96' ' ' GLN . 63.1 tttp -60.62 -33.68 73.12 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.675 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 70.2 t -68.01 -47.11 80.25 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.24 0 C-N-CA 120.746 -0.381 . . . . 0.0 110.77 179.262 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -68.51 -34.67 76.29 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.39 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 35.8 t0 -71.78 60.41 0.36 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.5 -179.42 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 17.1 tptp -51.39 -46.47 62.86 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.527 -0.469 . . . . 0.0 110.048 -179.003 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' ASP . . . . . 0.443 ' OD2' ' OE2' ' A' ' 104' ' ' GLU . 5.5 m-20 -70.48 -7.78 46.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.891 0.377 . . . . 0.0 110.031 -179.605 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 96' ' ' GLN . . . . . 0.627 HE22 ' HG3' ' A' ' 90' ' ' LYS . 24.9 tp60 49.93 32.75 5.84 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.102 -179.823 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 49.4 p-10 -90.55 4.73 50.36 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 116.506 -0.315 . . . . 0.0 111.321 -179.191 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 82.77 -7.53 65.54 Favored Glycine 0 CA--C 1.528 0.855 0 N-CA-C 111.484 -0.646 . . . . 0.0 111.484 179.426 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 63.3 m-85 -128.94 134.04 48.07 Favored 'General case' 0 N--CA 1.468 0.454 0 N-CA-C 110.425 -0.213 . . . . 0.0 110.425 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 31.1 mt -84.33 129.85 36.94 Favored 'Isoleucine or valine' 0 C--O 1.237 0.43 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 178.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 4.0 m -97.92 157.07 16.31 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.56 -179.499 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -52.11 -41.54 62.54 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.692 -0.485 . . . . 0.0 109.692 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' SER . . . . . 0.407 ' HA ' HH11 ' A' ' 106' ' ' ARG . 78.0 p -59.04 -41.77 88.66 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.695 -0.402 . . . . 0.0 110.271 179.81 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.443 ' OE2' ' OD2' ' A' ' 95' ' ' ASP . 87.9 mt-10 -68.5 -39.53 81.25 Favored 'General case' 0 N--CA 1.444 -0.729 0 C-N-CA 120.832 -0.347 . . . . 0.0 111.001 179.338 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.565 HD13 ' O ' ' A' ' 105' ' ' LEU . 0.2 OUTLIER -61.37 -42.56 98.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.028 0.442 . . . . 0.0 109.963 -179.448 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 106' ' ' ARG . . . . . 0.435 ' HG2' ' N ' ' A' ' 107' ' ' HIS . 9.3 ptt-85 -64.06 -44.64 91.81 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 120.387 -0.525 . . . . 0.0 109.694 179.357 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 107' ' ' HIS . . . . . 0.435 ' N ' ' HG2' ' A' ' 106' ' ' ARG . 29.6 t-80 -52.42 -40.9 62.73 Favored 'General case' 0 CA--C 1.514 -0.43 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 -178.865 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 85.0 t -66.14 -40.75 87.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.154 178.581 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 17.0 mmt -59.89 -45.33 92.88 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 120.574 -0.45 . . . . 0.0 110.633 -178.922 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.434 ' N ' HD12 ' A' ' 110' ' ' ILE . 1.4 mp -65.97 -43.02 92.87 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.318 0 N-CA-C 109.886 -0.413 . . . . 0.0 109.886 178.597 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 111' ' ' ASN . . . . . 0.433 ' OD1' ' O ' ' A' ' 111' ' ' ASN . 53.9 t-20 -61.62 -37.53 84.28 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.431 -179.532 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -78.07 -2.75 38.83 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.122 179.829 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 85.19 17.29 63.03 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 179.629 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -112.61 128.71 56.45 Favored 'General case' 0 N--CA 1.464 0.269 0 N-CA-C 109.916 -0.402 . . . . 0.0 109.916 179.389 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 32.0 mtpt -132.15 109.8 10.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.907 0.384 . . . . 0.0 110.413 -179.617 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 72.8 mt -118.58 165.4 13.99 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.703 179.553 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 117' ' ' THR . . . . . 0.419 ' H ' HG22 ' A' ' 117' ' ' THR . 0.0 OUTLIER -73.73 164.83 26.13 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.618 -0.512 . . . . 0.0 109.618 179.595 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 55.2 t0 -62.41 -37.36 85.51 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.597 -0.441 . . . . 0.0 110.614 -179.585 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -56.26 -39.48 72.68 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.887 -0.325 . . . . 0.0 110.671 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 62.0 mm-40 -71.82 -48.98 42.54 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.64 -0.424 . . . . 0.0 110.244 178.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 76.5 t -64.2 -46.39 93.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 C-N-CA 120.647 -0.421 . . . . 0.0 110.051 179.759 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 43.4 tp10 -60.08 -37.59 80.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.072 -0.513 . . . . 0.0 109.956 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 60.0 tt0 -62.01 -45.56 93.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.217 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 74.8 mtm -65.21 -39.55 92.93 Favored 'General case' 0 N--CA 1.446 -0.659 0 C-N-CA 120.964 -0.294 . . . . 0.0 110.269 179.714 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 5.6 mm -62.9 -45.62 98.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -67.41 -41.98 83.99 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.434 -0.803 . . . . 0.0 111.109 178.91 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 12.6 tm-20 -70.05 -38.87 75.93 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.043 -179.85 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -70.39 -29.36 65.98 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.505 -0.77 . . . . 0.0 111.283 -178.895 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 129' ' ' ASP . . . . . 0.527 ' OD2' ' N ' ' A' ' 133' ' ' ASP . 23.2 t0 -78.64 116.49 19.04 Favored 'General case' 0 CA--C 1.51 -0.589 0 CA-C-O 121.429 0.633 . . . . 0.0 111.605 -178.852 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 6.1 tp -86.17 -24.59 26.09 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 114.975 -1.011 . . . . 0.0 111.586 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 131' ' ' ASP . . . . . 0.427 ' OD1' ' OD1' ' A' ' 129' ' ' ASP . 42.8 p30 -103.84 11.21 35.97 Favored 'General case' 0 N--CA 1.47 0.529 0 N-CA-C 111.601 0.223 . . . . 0.0 111.601 -179.116 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 132' ' ' GLY . . . . . 0.408 ' CA ' ' OD2' ' A' ' 129' ' ' ASP . . . 44.03 30.25 1.72 Allowed Glycine 0 CA--C 1.528 0.895 0 C-N-CA 120.803 -0.713 . . . . 0.0 111.332 179.429 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 133' ' ' ASP . . . . . 0.527 ' N ' ' OD2' ' A' ' 129' ' ' ASP . 15.2 p-10 -74.33 -17.58 60.82 Favored 'General case' 0 C--N 1.333 -0.119 0 CA-C-O 120.946 0.403 . . . . 0.0 110.748 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 97.16 -7.79 64.54 Favored Glycine 0 C--N 1.332 0.319 0 N-CA-C 110.213 -1.155 . . . . 0.0 110.213 179.692 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 135' ' ' GLN . . . . . 0.415 ' H ' ' CG ' ' A' ' 133' ' ' ASP . 6.5 mt-30 -122.86 139.31 54.16 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-O 120.843 0.354 . . . . 0.0 110.302 -178.383 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 88.6 t -81.85 121.36 35.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 N-CA-C 108.471 -0.937 . . . . 0.0 108.471 178.802 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 64.3 t30 -93.89 164.45 13.1 Favored 'General case' 0 N--CA 1.465 0.308 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 179.301 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 73.6 t80 -46.09 -51.27 14.15 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.486 -0.325 . . . . 0.0 111.061 -178.793 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 -59.78 -42.04 92.45 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.879 -0.328 . . . . 0.0 110.743 -179.689 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 75.3 mt-10 -66.14 -42.18 89.42 Favored 'General case' 0 N--CA 1.45 -0.458 0 C-N-CA 120.395 -0.522 . . . . 0.0 110.09 179.705 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 55.5 t80 -61.88 -50.13 73.45 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 178.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 55.5 t -59.37 -46.21 92.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.813 -0.631 . . . . 0.0 109.347 179.783 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 65.3 tttm -60.82 -48.4 81.97 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.755 -0.657 . . . . 0.0 109.815 179.696 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 47.9 ttp -62.86 -40.6 97.96 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.616 -0.72 . . . . 0.0 109.505 178.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 36.6 ttm -62.12 -39.19 91.7 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 114.607 -1.178 . . . . 0.0 109.798 179.635 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 57.1 mmm -64.79 -38.03 89.6 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.192 179.668 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 14.6 m . . . . . 0 C--N 1.33 -0.246 0 CA-C-O 120.967 0.413 . . . . 0.0 110.983 -179.84 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.531 ' OE1' ' N ' ' A' ' 83' ' ' GLU . 54.5 mp0 . . . . . 0 N--CA 1.455 -0.179 0 N-CA-C 109.241 -0.651 . . . . 0.0 109.241 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 75.8 mt-10 -46.18 -47.76 17.65 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 120.62 -0.432 . . . . 0.0 110.349 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.571 HD13 ' O ' ' A' ' 85' ' ' LEU . 0.2 OUTLIER -61.91 -45.31 94.29 Favored 'General case' 0 N--CA 1.452 -0.342 0 C-N-CA 120.09 -0.644 . . . . 0.0 110.369 -179.71 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 64.0 tttm -62.26 -41.01 98.07 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.46 -0.496 . . . . 0.0 110.313 179.765 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -67.39 -53.16 31.67 Favored 'General case' 0 N--CA 1.452 -0.367 0 C-N-CA 120.623 -0.431 . . . . 0.0 110.466 179.569 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -52.47 -45.63 66.19 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.411 -0.516 . . . . 0.0 110.208 -179.654 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 36.5 t80 -57.02 -44.57 83.0 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.024 179.429 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 64.9 mmtt -60.3 -32.61 71.38 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.745 -0.382 . . . . 0.0 110.896 179.357 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 98.9 t -70.18 -48.23 62.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 C-N-CA 120.528 -0.469 . . . . 0.0 110.74 179.439 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -63.47 -33.84 76.46 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.556 -0.458 . . . . 0.0 110.249 179.827 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.528 ' OD2' ' N ' ' A' ' 98' ' ' GLY . 21.3 t0 -70.22 66.22 0.28 Allowed 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 120.561 -0.456 . . . . 0.0 110.629 -179.446 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -48.84 -47.76 42.33 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.347 -0.541 . . . . 0.0 110.186 -179.229 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' ASP . . . . . 0.432 ' OD2' ' OE2' ' A' ' 104' ' ' GLU . 4.5 m-20 -73.82 -6.73 48.88 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 120.856 -0.337 . . . . 0.0 110.213 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 43.1 tt0 49.18 36.88 9.85 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.018 -179.489 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 53.6 p-10 -92.77 3.43 55.66 Favored 'General case' 0 N--CA 1.464 0.251 0 C-N-CA 120.739 -0.384 . . . . 0.0 111.345 -179.085 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' GLY . . . . . 0.528 ' N ' ' OD2' ' A' ' 93' ' ' ASP . . . 88.0 -9.63 73.85 Favored Glycine 0 CA--C 1.525 0.717 0 N-CA-C 111.395 -0.682 . . . . 0.0 111.395 179.57 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 60.7 m-85 -127.29 133.3 50.16 Favored 'General case' 0 N--CA 1.467 0.417 0 N-CA-C 110.273 -0.269 . . . . 0.0 110.273 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 38.7 mt -84.23 129.06 38.27 Favored 'Isoleucine or valine' 0 C--O 1.237 0.402 0 N-CA-C 108.936 -0.764 . . . . 0.0 108.936 179.062 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.5 m -96.04 154.1 17.42 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.592 -179.547 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -50.16 -40.66 47.34 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.346 -0.541 . . . . 0.0 110.22 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 78.1 p -64.73 -36.28 83.79 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.723 -0.391 . . . . 0.0 110.577 179.42 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.432 ' OE2' ' OD2' ' A' ' 95' ' ' ASP . 85.5 mt-10 -69.15 -42.03 76.51 Favored 'General case' 0 N--CA 1.444 -0.756 0 C-N-CA 120.563 -0.455 . . . . 0.0 109.996 179.029 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 27.8 tp -66.78 -40.77 88.31 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-O 121.128 0.49 . . . . 0.0 109.685 178.809 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 36.1 ttt85 -58.71 -49.97 75.62 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.258 -0.577 . . . . 0.0 109.766 179.349 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 11.7 t-160 -54.18 -41.09 68.16 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 -179.764 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 86.2 t -65.63 -42.78 93.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 C-N-CA 120.605 -0.438 . . . . 0.0 110.228 178.869 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 19.8 mmt -59.54 -44.08 93.31 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.647 -0.421 . . . . 0.0 110.331 -179.212 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.405 ' N ' HD12 ' A' ' 110' ' ' ILE . 1.7 mp -65.0 -42.68 95.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 C-N-CA 120.518 -0.473 . . . . 0.0 110.182 177.785 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 19.8 t-20 -59.17 -33.59 71.11 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 -179.354 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 8.7 mp -81.0 -2.48 48.1 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.17 179.426 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 83.92 17.76 64.73 Favored Glycine 0 CA--C 1.526 0.763 0 N-CA-C 111.024 -0.831 . . . . 0.0 111.024 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -121.27 135.64 55.09 Favored 'General case' 0 N--CA 1.467 0.41 0 N-CA-C 109.666 -0.494 . . . . 0.0 109.666 179.595 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 39.5 pttt -140.27 119.12 12.52 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-O 120.738 0.304 . . . . 0.0 110.392 -179.609 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.902 HD22 ' N ' ' A' ' 116' ' ' LEU . 0.9 OUTLIER -105.17 157.5 17.23 Favored 'General case' 0 N--CA 1.466 0.341 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 -179.967 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 19.9 p -63.99 164.51 10.37 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.064 -0.654 . . . . 0.0 109.347 -179.407 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 54.3 t0 -62.41 -40.35 96.23 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.378 -0.529 . . . . 0.0 110.564 -179.486 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -62.17 -33.72 75.05 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 120.687 -0.405 . . . . 0.0 110.667 -179.767 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 72.9 mm-40 -70.39 -45.29 66.28 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 120.512 -0.475 . . . . 0.0 110.514 179.14 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 74.8 t -63.26 -47.31 92.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 C-N-CA 120.46 -0.496 . . . . 0.0 110.15 179.68 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -57.29 -39.18 75.2 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 120.797 -0.361 . . . . 0.0 110.377 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 92.9 mt-30 -68.3 -39.13 82.16 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.732 -0.387 . . . . 0.0 110.768 179.216 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 90.1 mtp -62.64 -43.98 97.43 Favored 'General case' 0 N--CA 1.449 -0.497 0 C-N-CA 120.734 -0.386 . . . . 0.0 110.711 -179.447 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 125' ' ' ILE . . . . . 0.402 HG22 ' OD2' ' A' ' 129' ' ' ASP . 9.6 mm -62.91 -48.2 89.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 C-N-CA 120.596 -0.442 . . . . 0.0 110.025 179.437 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 9.2 mtmp? -63.29 -44.31 95.4 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.992 179.708 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 71.5 mm-40 -68.01 -38.16 82.28 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.982 179.576 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -76.27 -28.95 57.26 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.167 -179.428 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 129' ' ' ASP . . . . . 0.402 ' OD2' HG22 ' A' ' 125' ' ' ILE . 89.7 m-20 -75.16 114.73 14.0 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.211 0.529 . . . . 0.0 111.286 -179.276 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 57.7 tp -77.49 -29.07 52.4 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.716 -0.675 . . . . 0.0 111.28 179.712 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 131' ' ' ASP . . . . . 0.402 ' OD1' ' C ' ' A' ' 131' ' ' ASP . 41.2 p-10 -106.53 16.28 24.83 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 111.701 0.26 . . . . 0.0 111.701 -178.798 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 39.2 53.71 2.65 Favored Glycine 0 CA--C 1.53 0.985 0 C-N-CA 120.625 -0.798 . . . . 0.0 111.476 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 133' ' ' ASP . . . . . 0.511 ' OD1' ' N ' ' A' ' 135' ' ' GLN . 26.4 p30 -97.78 -15.84 20.12 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 117.009 0.405 . . . . 0.0 110.142 -179.691 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 134' ' ' GLY . . . . . 0.443 ' N ' ' OD1' ' A' ' 133' ' ' ASP . . . 97.29 -10.91 65.47 Favored Glycine 0 C--N 1.331 0.265 0 N-CA-C 110.319 -1.112 . . . . 0.0 110.319 179.66 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 135' ' ' GLN . . . . . 0.511 ' N ' ' OD1' ' A' ' 133' ' ' ASP . 4.6 mt-30 -118.22 134.98 54.54 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-O 120.578 0.228 . . . . 0.0 110.604 -178.736 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 89.0 t -80.05 121.84 34.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 N-CA-C 108.359 -0.978 . . . . 0.0 108.359 178.869 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 63.3 t30 -94.86 163.54 13.3 Favored 'General case' 0 N--CA 1.469 0.516 0 N-CA-C 110.1 -0.333 . . . . 0.0 110.1 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 138' ' ' TYR . . . . . 0.425 ' CZ ' HD12 ' A' ' 85' ' ' LEU . 43.5 t80 -45.72 -52.39 11.05 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.59 -0.444 . . . . 0.0 111.004 -178.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 38.5 tp10 -58.04 -42.55 85.61 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.76 -0.376 . . . . 0.0 111.092 -179.31 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 55.6 mt-10 -66.13 -41.75 90.04 Favored 'General case' 0 C--N 1.324 -0.512 0 C-N-CA 120.196 -0.602 . . . . 0.0 110.317 179.793 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 61.4 t80 -61.87 -50.82 70.7 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 179.198 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 53.6 t -59.47 -45.34 93.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 N-CA-C 109.138 -0.689 . . . . 0.0 109.138 179.698 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 63.9 tttp -60.89 -49.71 76.36 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.943 179.617 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 59.7 ttp -60.73 -39.24 87.88 Favored 'General case' 0 CA--C 1.515 -0.383 0 CA-C-O 121.431 0.634 . . . . 0.0 109.354 179.176 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 145' ' ' MET . . . . . 0.402 ' SD ' HD21 ' A' ' 85' ' ' LEU . 42.1 ttm -66.03 -38.77 89.25 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 115.136 -0.938 . . . . 0.0 110.098 179.736 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 78.5 mmm -62.15 -39.82 93.9 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.861 -0.422 . . . . 0.0 109.861 179.436 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 71.2 m . . . . . 0 C--N 1.33 -0.248 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.38 -179.756 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 . . . . . 0 N--CA 1.455 -0.212 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -43.95 -37.29 2.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.602 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.517 HD23 ' OH ' ' A' ' 138' ' ' TYR . 51.0 tp -60.59 -43.97 96.77 Favored 'General case' 0 C--N 1.331 -0.202 0 C-N-CA 120.284 -0.566 . . . . 0.0 110.114 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 60.0 mmtt -62.18 -39.14 91.71 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 120.471 -0.492 . . . . 0.0 110.406 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.432 ' O ' ' HG3' ' A' ' 90' ' ' LYS . 38.5 tp10 -70.59 -48.84 53.24 Favored 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 120.476 -0.49 . . . . 0.0 109.988 179.504 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -55.79 -47.88 76.31 Favored 'General case' 0 C--N 1.319 -0.751 0 C-N-CA 120.261 -0.576 . . . . 0.0 110.367 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 54.6 t80 -57.06 -45.09 83.49 Favored 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 120.782 -0.367 . . . . 0.0 110.55 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.444 ' HG3' ' N ' ' A' ' 91' ' ' VAL . 0.0 OUTLIER -60.01 -29.53 68.55 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.232 0.539 . . . . 0.0 111.174 -179.909 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.444 ' N ' ' HG3' ' A' ' 90' ' ' LYS . 54.0 t -70.48 -46.71 69.3 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.207 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.262 -179.093 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -62.96 -30.9 71.93 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.251 179.297 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.548 ' OD2' ' N ' ' A' ' 98' ' ' GLY . 18.0 t0 -72.46 66.83 0.71 Allowed 'General case' 0 C--N 1.322 -0.623 0 C-N-CA 120.668 -0.413 . . . . 0.0 110.784 -179.39 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 75.7 tttt -51.78 -47.58 64.12 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.322 -0.551 . . . . 0.0 109.999 -179.417 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' ASP . . . . . 0.439 ' OD2' ' OE2' ' A' ' 104' ' ' GLU . 4.6 m-20 -72.94 -6.22 43.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.96 0.41 . . . . 0.0 110.054 -179.629 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 47.9 tt0 49.9 33.05 6.06 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.082 -0.508 . . . . 0.0 109.841 -179.613 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 48.9 p-10 -90.5 3.93 52.57 Favored 'General case' 0 C--N 1.329 -0.314 0 O-C-N 122.07 -0.394 . . . . 0.0 111.09 -179.147 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' GLY . . . . . 0.548 ' N ' ' OD2' ' A' ' 93' ' ' ASP . . . 83.35 -0.38 89.7 Favored Glycine 0 CA--C 1.527 0.84 0 N-CA-C 111.414 -0.674 . . . . 0.0 111.414 179.591 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 48.3 m-85 -133.11 138.14 46.57 Favored 'General case' 0 N--CA 1.469 0.475 0 N-CA-C 110.306 -0.257 . . . . 0.0 110.306 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 15.8 mt -90.61 126.63 43.38 Favored 'Isoleucine or valine' 0 C--O 1.239 0.522 0 N-CA-C 108.943 -0.762 . . . . 0.0 108.943 178.89 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 24.8 p -98.59 159.65 14.81 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.783 -179.447 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -53.76 -41.96 67.71 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.392 -0.523 . . . . 0.0 109.768 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 103' ' ' SER . . . . . 0.508 ' O ' ' ND1' ' A' ' 107' ' ' HIS . 77.2 p -58.58 -40.69 83.84 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-O 121.078 0.465 . . . . 0.0 110.327 179.8 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.476 ' O ' HG23 ' A' ' 108' ' ' VAL . 95.5 mt-10 -73.12 -39.93 65.34 Favored 'General case' 0 N--CA 1.444 -0.735 0 C-N-CA 120.572 -0.451 . . . . 0.0 110.738 178.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 39.2 tp -62.46 -44.34 96.64 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-O 120.863 0.364 . . . . 0.0 111.295 -179.72 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 106' ' ' ARG . . . . . 0.45 ' HG2' ' O ' ' A' ' 103' ' ' SER . 19.1 ptp180 -64.96 -43.59 92.17 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.504 -0.479 . . . . 0.0 110.108 179.596 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 107' ' ' HIS . . . . . 0.508 ' ND1' ' O ' ' A' ' 103' ' ' SER . 37.5 m170 -57.64 -44.52 85.67 Favored 'General case' 0 N--CA 1.452 -0.33 0 C-N-CA 120.49 -0.484 . . . . 0.0 109.815 -179.697 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.476 HG23 ' O ' ' A' ' 104' ' ' GLU . 96.5 t -65.9 -42.78 92.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.272 179.327 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 3.6 mmt -62.62 -43.22 99.36 Favored 'General case' 0 C--N 1.332 -0.186 0 C-N-CA 120.543 -0.463 . . . . 0.0 110.361 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 94.2 mt -63.07 -44.65 99.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 C-N-CA 120.479 -0.489 . . . . 0.0 109.726 179.578 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 28.8 t30 -60.86 -28.61 68.98 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.728 -0.471 . . . . 0.0 109.728 179.564 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.431 HD22 ' HA ' ' A' ' 112' ' ' LEU . 0.2 OUTLIER -82.42 -1.81 51.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.066 -179.858 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 87.94 13.15 64.95 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -116.02 127.58 55.02 Favored 'General case' 0 N--CA 1.467 0.42 0 N-CA-C 109.866 -0.42 . . . . 0.0 109.866 179.401 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 19.6 pttm -136.67 114.79 11.54 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-O 121.014 0.435 . . . . 0.0 110.53 -179.773 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 60.6 mt -109.01 163.92 12.88 Favored 'General case' 0 N--CA 1.466 0.351 0 N-CA-C 109.553 -0.536 . . . . 0.0 109.553 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 72.3 p -71.3 167.74 18.85 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 118' ' ' ASP . . . . . 0.534 ' OD1' ' N ' ' A' ' 119' ' ' GLU . 40.3 p-10 -64.41 -42.62 95.99 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.424 -0.51 . . . . 0.0 110.905 -179.76 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 119' ' ' GLU . . . . . 0.534 ' N ' ' OD1' ' A' ' 118' ' ' ASP . 96.8 mt-10 -58.22 -33.26 69.12 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.813 0.34 . . . . 0.0 110.747 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -73.9 -46.77 42.44 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 120.515 -0.474 . . . . 0.0 110.312 178.894 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 69.5 t -65.63 -43.99 93.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.076 179.475 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -63.21 -39.51 94.83 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.714 -0.394 . . . . 0.0 110.388 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 78.4 mm-40 -69.23 -41.22 77.31 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.682 -0.407 . . . . 0.0 110.503 179.238 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 45.7 ttp -65.03 -42.29 94.47 Favored 'General case' 0 N--CA 1.45 -0.458 0 C-N-CA 120.97 -0.292 . . . . 0.0 110.316 179.538 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 4.7 mm -64.27 -47.44 89.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 121.311 0.577 . . . . 0.0 109.781 179.64 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 54.7 mtpt -64.57 -39.88 94.54 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.811 179.384 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 75.9 tt0 -73.88 -35.83 64.75 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.818 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -75.44 -29.05 59.57 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.321 -179.343 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 129' ' ' ASP . . . . . 0.506 ' OD2' ' N ' ' A' ' 133' ' ' ASP . 28.7 t0 -70.87 110.8 5.83 Favored 'General case' 0 CA--C 1.509 -0.607 0 CA-C-O 121.215 0.531 . . . . 0.0 111.893 -179.16 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.467 ' H ' ' HG2' ' A' ' 140' ' ' GLU . 51.6 tp -88.45 -26.44 22.1 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.409 -0.814 . . . . 0.0 111.35 179.365 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 44.1 m-20 -79.94 -10.61 59.79 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 120.921 -0.311 . . . . 0.0 111.553 -178.499 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 70.99 22.02 78.38 Favored Glycine 0 CA--C 1.527 0.789 0 C-N-CA 120.551 -0.833 . . . . 0.0 111.213 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 133' ' ' ASP . . . . . 0.506 ' N ' ' OD2' ' A' ' 129' ' ' ASP . 37.6 p-10 -95.02 -12.41 26.67 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-O 120.91 0.386 . . . . 0.0 110.39 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 85.34 11.27 75.76 Favored Glycine 0 C--N 1.331 0.287 0 N-CA-C 110.531 -1.028 . . . . 0.0 110.531 179.773 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 9.1 mt-30 -121.71 146.6 46.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.896 0.379 . . . . 0.0 110.382 -178.597 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 6.4 t -87.67 117.32 31.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 N-CA-C 108.158 -1.052 . . . . 0.0 108.158 178.431 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 58.2 t30 -103.41 169.75 8.35 Favored 'General case' 0 N--CA 1.468 0.44 0 N-CA-C 109.965 -0.383 . . . . 0.0 109.965 179.325 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 138' ' ' TYR . . . . . 0.517 ' OH ' HD23 ' A' ' 85' ' ' LEU . 69.2 t80 -45.65 -52.12 11.25 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 120.936 -0.306 . . . . 0.0 110.967 -178.753 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 83.1 tt0 -60.48 -45.07 95.08 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 120.841 -0.343 . . . . 0.0 111.21 -179.454 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 140' ' ' GLU . . . . . 0.467 ' HG2' ' H ' ' A' ' 130' ' ' LEU . 57.8 mt-10 -67.0 -43.36 83.14 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 120.181 -0.608 . . . . 0.0 110.493 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 141' ' ' PHE . . . . . 0.481 ' O ' ' N ' ' A' ' 145' ' ' MET . 55.9 t80 -60.64 -49.54 77.09 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.176 -0.676 . . . . 0.0 109.176 179.357 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 35.3 t -60.09 -46.52 94.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 179.322 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 26.4 tptp -62.97 -48.59 78.2 Favored 'General case' 0 N--CA 1.444 -0.731 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.376 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 144' ' ' MET . . . . . 0.446 ' SD ' ' C ' ' A' ' 144' ' ' MET . 9.0 tmm? -66.72 -43.09 85.19 Favored 'General case' 0 CA--C 1.51 -0.558 0 CA-C-O 121.615 0.722 . . . . 0.0 110.03 178.92 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 145' ' ' MET . . . . . 0.481 ' N ' ' O ' ' A' ' 141' ' ' PHE . 11.4 tmm? -61.53 -37.84 85.24 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 114.739 -1.119 . . . . 0.0 109.916 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 15.2 mmt -71.05 -40.94 71.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.278 178.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 5.7 m . . . . . 0 C--N 1.331 -0.206 0 CA-C-O 121.017 0.437 . . . . 0.0 110.804 -179.383 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 . . . . . 0 N--CA 1.457 -0.117 0 N-CA-C 109.045 -0.724 . . . . 0.0 109.045 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -44.55 -36.33 2.95 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.571 -0.452 . . . . 0.0 110.509 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 31.6 mt -62.97 -44.69 95.35 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.343 -0.543 . . . . 0.0 110.589 179.563 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 24.3 mtpp -62.6 -41.16 98.81 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.38 -0.528 . . . . 0.0 110.357 179.18 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 83.3 tt0 -72.3 -49.9 31.11 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.607 -0.437 . . . . 0.0 110.112 179.501 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -53.86 -46.46 71.29 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 120.285 -0.566 . . . . 0.0 110.075 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 69.9 t80 -60.32 -43.21 96.6 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.035 179.153 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 65.0 tttm -61.27 -32.12 71.94 Favored 'General case' 0 C--N 1.332 -0.193 0 C-N-CA 120.885 -0.326 . . . . 0.0 110.493 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 84.6 t -78.25 -31.96 16.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 C-N-CA 120.638 -0.425 . . . . 0.0 110.505 179.339 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -65.91 -35.55 80.92 Favored 'General case' 0 C--N 1.331 -0.199 0 C-N-CA 120.391 -0.524 . . . . 0.0 110.445 179.712 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.539 ' OD2' ' N ' ' A' ' 98' ' ' GLY . 10.7 t0 -76.14 75.68 2.98 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 120.307 -0.557 . . . . 0.0 111.05 -179.116 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 53.7 mtpt -51.8 -46.5 64.26 Favored 'General case' 0 C--N 1.333 -0.142 0 C-N-CA 120.331 -0.548 . . . . 0.0 110.01 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' ASP . . . . . 0.421 ' OD2' ' OE2' ' A' ' 104' ' ' GLU . 5.0 m-20 -71.4 -4.88 28.77 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.943 0.401 . . . . 0.0 109.93 179.81 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 96' ' ' GLN . . . . . 0.43 ' N ' ' OD1' ' A' ' 93' ' ' ASP . 35.4 tt0 50.84 29.1 4.09 Favored 'General case' 0 C--N 1.324 -0.512 0 C-N-CA 120.541 -0.464 . . . . 0.0 110.081 -179.798 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 51.4 p-10 -84.58 0.01 51.57 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 122.037 -0.414 . . . . 0.0 111.031 -179.36 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' GLY . . . . . 0.539 ' N ' ' OD2' ' A' ' 93' ' ' ASP . . . 86.86 -9.36 72.22 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.421 ' N ' ' OD2' ' A' ' 93' ' ' ASP . 33.0 m-85 -127.2 133.67 50.23 Favored 'General case' 0 N--CA 1.469 0.52 0 N-CA-C 110.185 -0.302 . . . . 0.0 110.185 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 20.7 mt -82.96 128.43 38.73 Favored 'Isoleucine or valine' 0 C--O 1.233 0.19 0 N-CA-C 109.035 -0.728 . . . . 0.0 109.035 179.102 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 101' ' ' SER . . . . . 0.424 ' CB ' HE22 ' A' ' 135' ' ' GLN . 6.9 p -95.85 153.06 17.94 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.637 -179.513 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -49.68 -39.67 37.33 Favored 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 120.333 -0.547 . . . . 0.0 109.901 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 67.7 m -61.54 -39.02 89.57 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-O 120.876 0.37 . . . . 0.0 110.613 179.084 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.421 ' OE2' ' OD2' ' A' ' 95' ' ' ASP . 90.7 mt-10 -70.62 -42.08 71.39 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 120.583 -0.447 . . . . 0.0 110.396 179.509 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.772 ' C ' HD13 ' A' ' 105' ' ' LEU . 2.8 tm? -64.62 -44.02 91.87 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-O 121.443 0.639 . . . . 0.0 110.097 178.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 106' ' ' ARG . . . . . 0.516 ' HE ' HD11 ' A' ' 110' ' ' ILE . 9.4 tpt180 -61.61 -46.83 88.15 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 120.236 -0.585 . . . . 0.0 109.973 179.693 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 11.8 t-160 -53.93 -39.79 66.17 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 120.486 -0.486 . . . . 0.0 109.829 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.41 HG23 ' O ' ' A' ' 104' ' ' GLU . 74.7 t -61.63 -42.88 95.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 C-N-CA 120.732 -0.387 . . . . 0.0 110.093 179.057 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 109' ' ' MET . . . . . 0.564 ' SD ' ' N ' ' A' ' 109' ' ' MET . 0.0 OUTLIER -58.95 -41.25 86.99 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.565 -0.454 . . . . 0.0 110.361 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.516 HD11 ' HE ' ' A' ' 106' ' ' ARG . 12.8 mm -64.18 -44.56 97.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 179.083 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 7.1 t-20 -59.25 -33.45 71.04 Favored 'General case' 0 C--N 1.331 -0.209 0 C-N-CA 120.712 -0.395 . . . . 0.0 109.943 179.725 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 8.6 mp -80.98 -4.36 54.79 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.868 179.328 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 82.66 20.54 61.52 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -113.04 129.42 56.51 Favored 'General case' 0 N--CA 1.467 0.392 0 N-CA-C 109.643 -0.503 . . . . 0.0 109.643 179.635 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 16.2 pttm -129.73 108.63 10.33 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-O 120.79 0.328 . . . . 0.0 110.239 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 5.0 mp -110.88 160.0 17.18 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 179.719 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 6.6 p -69.15 161.62 28.75 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.066 -0.653 . . . . 0.0 109.602 -179.838 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -62.06 -39.03 91.0 Favored 'General case' 0 C--N 1.331 -0.205 0 C-N-CA 120.421 -0.512 . . . . 0.0 110.669 179.79 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 77.3 mt-10 -56.34 -38.48 71.42 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.654 -0.418 . . . . 0.0 110.516 179.781 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -70.47 -46.55 63.56 Favored 'General case' 0 N--CA 1.448 -0.533 0 C-N-CA 120.465 -0.494 . . . . 0.0 110.111 179.294 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 70.2 t -63.28 -48.75 85.99 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 C-N-CA 120.321 -0.552 . . . . 0.0 110.186 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -56.0 -37.36 69.02 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.625 -0.43 . . . . 0.0 110.274 179.66 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 65.7 tp60 -67.54 -41.03 84.95 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 120.492 -0.483 . . . . 0.0 110.4 179.114 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 39.1 ttp -64.54 -44.53 90.52 Favored 'General case' 0 N--CA 1.449 -0.497 0 C-N-CA 120.794 -0.363 . . . . 0.0 110.424 -179.829 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 125' ' ' ILE . . . . . 0.431 HG22 ' OD2' ' A' ' 129' ' ' ASP . 7.9 mm -62.42 -48.59 87.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 121.064 0.459 . . . . 0.0 109.825 179.173 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 27.1 mmtp -63.75 -43.18 97.21 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.761 179.458 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 76.0 tt0 -68.81 -36.18 77.91 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.804 179.778 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -78.45 -29.08 46.72 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.033 -179.362 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 129' ' ' ASP . . . . . 0.431 ' OD2' HG22 ' A' ' 125' ' ' ILE . 82.6 m-20 -79.91 124.16 28.42 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 120.368 -0.533 . . . . 0.0 111.466 -179.132 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 2.3 pp -85.69 -17.27 36.47 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.247 179.559 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 38.7 p30 -113.97 14.35 18.42 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.988 -0.285 . . . . 0.0 111.53 -179.341 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 41.47 32.65 0.8 Allowed Glycine 0 CA--C 1.53 1.015 0 C-N-CA 120.317 -0.944 . . . . 0.0 111.219 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 133' ' ' ASP . . . . . 0.555 ' OD1' ' N ' ' A' ' 134' ' ' GLY . 48.5 p30 -75.42 -19.85 59.24 Favored 'General case' 0 N--CA 1.462 0.167 0 C-N-CA 120.49 -0.484 . . . . 0.0 110.391 179.816 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 134' ' ' GLY . . . . . 0.555 ' N ' ' OD1' ' A' ' 133' ' ' ASP . . . 96.66 -6.83 65.23 Favored Glycine 0 C--N 1.331 0.259 0 N-CA-C 110.336 -1.106 . . . . 0.0 110.336 179.538 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 135' ' ' GLN . . . . . 0.424 HE22 ' CB ' ' A' ' 101' ' ' SER . 87.2 mm-40 -117.38 131.37 56.79 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-O 120.544 0.212 . . . . 0.0 110.475 -178.854 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 86.4 t -80.82 118.56 28.79 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.241 0 N-CA-C 108.37 -0.974 . . . . 0.0 108.37 178.706 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 65.4 t30 -94.32 170.01 9.81 Favored 'General case' 0 N--CA 1.47 0.53 0 N-CA-C 110.042 -0.355 . . . . 0.0 110.042 179.83 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 138' ' ' TYR . . . . . 0.437 ' CE2' HG21 ' A' ' 142' ' ' VAL . 83.7 t80 -51.8 -49.29 63.05 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.576 -0.45 . . . . 0.0 111.01 -178.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 39.8 tp10 -56.98 -45.01 83.23 Favored 'General case' 0 CA--C 1.519 -0.218 0 O-C-N 122.054 -0.404 . . . . 0.0 111.115 -179.488 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -67.83 -38.81 83.7 Favored 'General case' 0 C--N 1.316 -0.891 0 C-N-CA 120.159 -0.617 . . . . 0.0 110.04 179.263 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 141' ' ' PHE . . . . . 0.429 ' O ' ' N ' ' A' ' 145' ' ' MET . 70.0 t80 -62.25 -50.77 70.4 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 108.776 -0.824 . . . . 0.0 108.776 179.071 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 142' ' ' VAL . . . . . 0.437 HG21 ' CE2' ' A' ' 138' ' ' TYR . 55.5 t -59.5 -47.52 90.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 179.422 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 3.2 tppp? -61.86 -48.62 79.69 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.725 179.034 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 55.5 ttp -63.17 -40.37 97.35 Favored 'General case' 0 CA--C 1.513 -0.464 0 CA-C-O 121.53 0.681 . . . . 0.0 109.326 178.599 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 145' ' ' MET . . . . . 0.429 ' N ' ' O ' ' A' ' 141' ' ' PHE . 28.1 tpp -63.95 -39.86 95.1 Favored 'General case' 0 N--CA 1.444 -0.761 0 CA-C-N 115.36 -0.836 . . . . 0.0 109.679 -179.395 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 86.5 mtp -62.15 -38.78 90.29 Favored 'General case' 0 N--CA 1.451 -0.402 0 N-CA-C 110.044 -0.354 . . . . 0.0 110.044 179.323 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 73.1 m . . . . . 0 C--N 1.331 -0.223 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.682 -179.774 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 83.2 tt0 . . . . . 0 N--CA 1.454 -0.233 0 N-CA-C 108.922 -0.77 . . . . 0.0 108.922 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -43.79 -35.13 1.78 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.477 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.538 HD13 ' SD ' ' A' ' 145' ' ' MET . 56.5 tp -61.9 -44.67 96.33 Favored 'General case' 0 C--N 1.332 -0.194 0 C-N-CA 120.383 -0.527 . . . . 0.0 110.26 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 53.3 mtpt -62.49 -40.53 96.99 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 120.416 -0.514 . . . . 0.0 110.349 179.753 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 81.6 tt0 -67.68 -50.81 55.83 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.606 -0.437 . . . . 0.0 109.943 179.441 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -52.72 -45.39 66.93 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 179.769 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 62.8 t80 -55.5 -45.32 77.08 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.787 -0.449 . . . . 0.0 109.787 179.539 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 28.4 mmtp -60.11 -32.8 71.33 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.769 179.701 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 97.3 t -68.55 -48.07 73.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 C-N-CA 120.483 -0.487 . . . . 0.0 110.716 179.489 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -63.29 -33.2 75.0 Favored 'General case' 0 N--CA 1.465 0.296 0 C-N-CA 120.787 -0.365 . . . . 0.0 110.167 179.65 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 39.3 t0 -71.77 64.38 0.47 Allowed 'General case' 0 C--N 1.324 -0.541 0 C-N-CA 120.681 -0.408 . . . . 0.0 110.677 -179.403 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 58.4 tttm -52.08 -48.31 64.76 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 120.383 -0.527 . . . . 0.0 109.947 -179.217 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' ASP . . . . . 0.414 ' OD2' ' OE2' ' A' ' 104' ' ' GLU . 7.5 m-20 -67.37 -7.94 28.76 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.045 0.45 . . . . 0.0 109.891 -179.833 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 99.0 mt-30 49.8 36.95 12.16 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.232 -179.597 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' ASN . . . . . 0.408 ' OD1' ' O ' ' A' ' 99' ' ' TYR . 35.9 p-10 -96.39 7.0 47.57 Favored 'General case' 0 N--CA 1.465 0.298 0 C-N-CA 121.073 -0.251 . . . . 0.0 111.317 -179.402 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 82.0 -9.0 58.68 Favored Glycine 0 CA--C 1.527 0.8 0 N-CA-C 111.356 -0.698 . . . . 0.0 111.356 179.427 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.408 ' O ' ' OD1' ' A' ' 97' ' ' ASN . 30.2 m-85 -128.39 135.26 49.3 Favored 'General case' 0 N--CA 1.469 0.485 0 N-CA-C 110.161 -0.311 . . . . 0.0 110.161 -179.83 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 31.9 mt -82.91 129.07 38.07 Favored 'Isoleucine or valine' 0 C--O 1.235 0.33 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 179.047 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 17.0 t -95.34 160.37 14.56 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.615 -179.246 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -56.87 -43.85 81.64 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 120.329 -0.548 . . . . 0.0 109.855 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 67.4 m -56.71 -39.02 73.14 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-O 120.931 0.395 . . . . 0.0 110.408 179.75 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.414 ' OE2' ' OD2' ' A' ' 95' ' ' ASP . 95.5 mt-10 -71.82 -35.72 70.0 Favored 'General case' 0 N--CA 1.444 -0.762 0 C-N-CA 120.753 -0.379 . . . . 0.0 110.564 179.48 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.574 HD13 ' O ' ' A' ' 105' ' ' LEU . 0.2 OUTLIER -60.37 -43.95 96.06 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-O 121.123 0.487 . . . . 0.0 110.124 -179.09 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 106' ' ' ARG . . . . . 0.402 ' HG3' ' N ' ' A' ' 107' ' ' HIS . 8.9 ptm180 -71.0 -38.94 72.67 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 120.441 -0.504 . . . . 0.0 110.108 179.461 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 107' ' ' HIS . . . . . 0.402 ' N ' ' HG3' ' A' ' 106' ' ' ARG . 58.5 t-80 -58.02 -42.46 85.31 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 179.799 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.409 ' O ' HD13 ' A' ' 112' ' ' LEU . 78.5 t -65.05 -43.19 95.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.241 -0.436 . . . . 0.0 109.99 178.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 20.9 mmt -60.77 -40.98 94.55 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.59 -0.444 . . . . 0.0 110.068 -179.665 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 97.6 mt -65.07 -44.3 95.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 C-N-CA 120.648 -0.421 . . . . 0.0 109.952 179.112 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 25.0 t30 -60.43 -31.41 70.38 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.226 -0.443 . . . . 0.0 109.994 179.705 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.409 HD13 ' O ' ' A' ' 108' ' ' VAL . 8.1 mp -82.8 -1.86 52.93 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.008 179.479 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 84.49 20.39 58.59 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 75.1 mt-10 -115.72 130.35 56.82 Favored 'General case' 0 N--CA 1.466 0.338 0 N-CA-C 109.666 -0.494 . . . . 0.0 109.666 179.677 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 4.9 ptpp? -126.91 108.56 11.09 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-O 120.914 0.388 . . . . 0.0 110.071 179.778 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 55.5 mt -108.4 153.81 22.75 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 109.607 -0.516 . . . . 0.0 109.607 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 72.3 p -70.45 164.54 24.45 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -62.39 -37.96 87.76 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.348 -0.541 . . . . 0.0 110.507 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -57.66 -36.92 72.54 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 120.635 -0.426 . . . . 0.0 110.545 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 -71.94 -48.06 47.95 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.477 -0.489 . . . . 0.0 110.164 179.054 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 81.6 t -62.25 -48.3 89.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 C-N-CA 120.652 -0.419 . . . . 0.0 109.929 179.61 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 83.9 tt0 -58.02 -37.08 73.66 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.68 -0.408 . . . . 0.0 110.097 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 65.7 tt0 -68.96 -40.6 78.79 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 120.622 -0.431 . . . . 0.0 110.553 179.258 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 44.0 ttm -63.39 -43.96 96.06 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-O 120.743 0.306 . . . . 0.0 110.485 -179.677 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 125' ' ' ILE . . . . . 0.477 HG22 ' OD2' ' A' ' 129' ' ' ASP . 7.2 mm -62.72 -48.21 89.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 121.203 0.525 . . . . 0.0 109.772 179.493 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 42.6 mmtm -65.48 -44.32 87.49 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.972 179.601 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 36.4 tp10 -68.94 -36.25 77.73 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.725 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -78.9 -30.28 44.8 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.188 -179.187 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 129' ' ' ASP . . . . . 0.477 ' OD2' HG22 ' A' ' 125' ' ' ILE . 86.3 m-20 -76.28 119.49 20.25 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.206 0.527 . . . . 0.0 111.395 -179.208 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 6.7 tt -79.08 -24.72 43.31 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.239 179.839 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 131' ' ' ASP . . . . . 0.411 ' O ' ' C ' ' A' ' 132' ' ' GLY . 45.3 p-10 -113.82 15.42 18.64 Favored 'General case' 0 N--CA 1.469 0.486 0 N-CA-C 111.576 0.213 . . . . 0.0 111.576 -178.915 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 132' ' ' GLY . . . . . 0.411 ' C ' ' O ' ' A' ' 131' ' ' ASP . . . 39.3 39.28 1.04 Allowed Glycine 0 CA--C 1.53 0.989 0 N-CA-C 111.189 -0.764 . . . . 0.0 111.189 179.698 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 133' ' ' ASP . . . . . 0.483 ' OD1' ' N ' ' A' ' 135' ' ' GLN . 19.8 p30 -78.3 -17.49 56.53 Favored 'General case' 0 N--CA 1.461 0.121 0 O-C-N 122.504 -0.409 . . . . 0.0 110.399 -179.87 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 134' ' ' GLY . . . . . 0.444 ' N ' ' OD1' ' A' ' 133' ' ' ASP . . . 97.92 -10.24 64.05 Favored Glycine 0 C--N 1.331 0.254 0 N-CA-C 110.196 -1.162 . . . . 0.0 110.196 179.583 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 135' ' ' GLN . . . . . 0.483 ' N ' ' OD1' ' A' ' 133' ' ' ASP . 8.8 mt-30 -118.48 131.7 56.25 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-O 120.668 0.271 . . . . 0.0 110.313 -178.797 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 52.9 t -81.19 121.48 34.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 N-CA-C 108.485 -0.932 . . . . 0.0 108.485 178.65 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 65.4 t30 -98.42 166.36 11.4 Favored 'General case' 0 N--CA 1.469 0.489 0 N-CA-C 110.124 -0.324 . . . . 0.0 110.124 179.463 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 85.5 t80 -51.24 -44.16 61.65 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.788 -0.365 . . . . 0.0 111.096 -178.903 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -58.24 -45.76 87.17 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.041 0.448 . . . . 0.0 110.896 -179.317 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -69.29 -38.52 78.34 Favored 'General case' 0 C--N 1.317 -0.805 0 C-N-CA 120.062 -0.655 . . . . 0.0 110.035 179.623 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 36.9 t80 -63.37 -56.5 15.8 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.287 -0.565 . . . . 0.0 110.081 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 142' ' ' VAL . . . . . 0.526 HG13 ' N ' ' A' ' 143' ' ' LYS . 7.8 p -58.18 -43.82 86.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 -179.333 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 143' ' ' LYS . . . . . 0.526 ' N ' HG13 ' A' ' 142' ' ' VAL . 64.9 tttp -62.9 -50.0 72.57 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.048 179.123 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 51.9 ttp -61.84 -39.52 92.12 Favored 'General case' 0 CA--C 1.512 -0.516 0 CA-C-O 121.632 0.729 . . . . 0.0 109.323 178.938 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 145' ' ' MET . . . . . 0.538 ' SD ' HD13 ' A' ' 85' ' ' LEU . 34.3 ttm -61.57 -39.88 92.74 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.006 -0.997 . . . . 0.0 109.706 179.771 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 84.8 mmm -64.32 -40.46 95.94 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.8 -0.36 . . . . 0.0 110.043 179.439 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 25.4 m . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.418 179.832 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 13.9 tm-20 . . . . . 0 N--CA 1.455 -0.196 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -46.03 -46.21 16.49 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.588 -0.445 . . . . 0.0 110.43 -179.804 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 76.4 mt -62.41 -44.85 95.45 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.267 -0.573 . . . . 0.0 110.323 179.559 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 64.5 tttp -63.0 -41.87 99.7 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 120.452 -0.499 . . . . 0.0 110.268 179.255 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 47.0 tp10 -68.39 -52.37 33.72 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 120.67 -0.412 . . . . 0.0 109.992 179.715 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -52.28 -45.37 65.45 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.389 -0.524 . . . . 0.0 109.877 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 54.4 t80 -57.81 -45.01 86.71 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.575 -0.45 . . . . 0.0 110.052 179.068 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -64.85 -34.21 77.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.74 0.305 . . . . 0.0 110.795 179.603 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 59.9 t -80.74 -33.36 13.41 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 C-N-CA 120.642 -0.423 . . . . 0.0 110.679 179.603 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -60.47 -34.11 73.55 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 120.215 -0.594 . . . . 0.0 110.51 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.554 ' OD2' ' N ' ' A' ' 97' ' ' ASN . 37.1 t0 -69.52 87.3 0.47 Allowed 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 120.261 -0.575 . . . . 0.0 111.053 -178.914 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 84.0 tttt -55.88 -52.89 62.48 Favored 'General case' 0 C--N 1.332 -0.157 0 C-N-CA 120.105 -0.638 . . . . 0.0 110.435 -179.2 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' ASP . . . . . 0.429 ' OD1' ' OD1' ' A' ' 93' ' ' ASP . 50.8 p30 -75.74 0.64 17.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.002 0.43 . . . . 0.0 110.336 -179.665 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 47.5 tp60 48.28 35.47 5.61 Favored 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 120.512 -0.475 . . . . 0.0 110.225 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' ASN . . . . . 0.554 ' N ' ' OD2' ' A' ' 93' ' ' ASP . 43.6 p-10 -79.0 -13.48 59.76 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 120.649 -0.42 . . . . 0.0 110.99 -179.399 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 97.46 0.23 59.55 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 111.236 -0.746 . . . . 0.0 111.236 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 25.4 m-85 -135.33 142.61 45.82 Favored 'General case' 0 C--O 1.222 -0.35 0 CA-C-N 116.847 0.324 . . . . 0.0 110.305 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 4.1 mm -82.34 115.15 24.37 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.159 0 N-CA-C 108.758 -0.83 . . . . 0.0 108.758 178.69 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 25.6 m -89.19 155.14 19.6 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.591 -179.34 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -58.56 -45.52 88.8 Favored 'General case' 0 C--N 1.332 -0.178 0 C-N-CA 120.294 -0.562 . . . . 0.0 110.305 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 52.2 m -59.96 -42.74 94.74 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 120.709 -0.396 . . . . 0.0 110.593 179.503 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -65.16 -35.98 82.78 Favored 'General case' 0 N--CA 1.447 -0.61 0 C-N-CA 120.47 -0.492 . . . . 0.0 110.179 179.468 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 32.7 tp -67.17 -41.92 85.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.267 0.556 . . . . 0.0 110.427 178.809 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 83.5 mtp180 -61.53 -48.76 79.54 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 120.206 -0.598 . . . . 0.0 109.959 -179.723 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 53.9 t-80 -54.59 -43.08 71.82 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.582 -0.447 . . . . 0.0 109.817 179.622 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 69.7 t -64.89 -41.85 93.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 C-N-CA 120.615 -0.434 . . . . 0.0 110.127 178.528 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 40.7 mtt -58.67 -42.47 88.57 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.462 -0.495 . . . . 0.0 110.403 -179.469 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.404 ' N ' HD12 ' A' ' 110' ' ' ILE . 1.9 mp -66.97 -43.16 89.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-O 121.02 0.438 . . . . 0.0 109.967 178.412 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 111' ' ' ASN . . . . . 0.436 ' OD1' ' O ' ' A' ' 111' ' ' ASN . 31.6 t-20 -60.91 -33.09 72.6 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.252 -179.864 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -81.51 -0.33 41.42 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.127 179.367 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 84.71 10.94 78.28 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -106.94 121.9 45.36 Favored 'General case' 0 N--CA 1.465 0.301 0 N-CA-C 109.724 -0.473 . . . . 0.0 109.724 179.644 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 14.9 pttp -126.6 103.93 7.84 Favored 'General case' 0 N--CA 1.465 0.296 0 N-CA-C 110.019 -0.363 . . . . 0.0 110.019 -179.575 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 2.0 mp -108.38 156.72 19.1 Favored 'General case' 0 N--CA 1.466 0.329 0 N-CA-C 109.611 -0.514 . . . . 0.0 109.611 179.727 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 30.9 p -66.24 160.48 24.25 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 119.954 -0.698 . . . . 0.0 109.596 -179.436 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 90.9 m-20 -60.01 -34.94 74.03 Favored 'General case' 0 C--N 1.332 -0.17 0 C-N-CA 120.429 -0.508 . . . . 0.0 110.425 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -64.77 -34.89 79.42 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.721 -0.392 . . . . 0.0 110.352 179.328 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 60.0 mt-10 -69.78 -48.73 58.13 Favored 'General case' 0 N--CA 1.448 -0.56 0 C-N-CA 120.469 -0.492 . . . . 0.0 110.193 179.104 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 92.4 t -65.56 -47.11 87.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 C-N-CA 120.51 -0.476 . . . . 0.0 110.262 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 93.8 mt-10 -59.89 -40.87 90.19 Favored 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 120.476 -0.489 . . . . 0.0 110.444 179.834 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 78.1 mm-40 -67.47 -40.01 85.31 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 120.565 -0.454 . . . . 0.0 110.688 179.296 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 32.8 tpp -65.23 -42.84 93.02 Favored 'General case' 0 N--CA 1.448 -0.555 0 C-N-CA 120.72 -0.392 . . . . 0.0 110.299 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 125' ' ' ILE . . . . . 0.458 HG23 HG23 ' A' ' 136' ' ' VAL . 67.4 mt -64.2 -44.73 97.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-O 121.217 0.532 . . . . 0.0 110.017 179.039 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 36.2 mmtm -62.01 -41.97 98.65 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.406 179.506 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 81.9 tt0 -70.33 -36.01 73.98 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.946 0.403 . . . . 0.0 110.777 179.293 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -75.46 -30.72 60.05 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.981 -179.353 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 129' ' ' ASP . . . . . 0.4 ' OD1' ' OE1' ' A' ' 140' ' ' GLU . 4.8 m-20 -73.41 114.92 12.17 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.325 -0.55 . . . . 0.0 111.5 -178.567 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 10.7 tp -84.8 -26.17 27.68 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.218 179.62 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 131' ' ' ASP . . . . . 0.412 ' O ' ' C ' ' A' ' 132' ' ' GLY . 20.6 p30 -100.75 10.79 40.71 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.939 -0.304 . . . . 0.0 111.422 -179.084 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 132' ' ' GLY . . . . . 0.412 ' C ' ' O ' ' A' ' 131' ' ' ASP . . . 40.17 51.19 3.57 Favored Glycine 0 CA--C 1.528 0.891 0 C-N-CA 120.252 -0.975 . . . . 0.0 111.383 -179.894 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 133' ' ' ASP . . . . . 0.503 ' OD1' ' N ' ' A' ' 134' ' ' GLY . 41.9 p-10 -97.1 -15.91 20.75 Favored 'General case' 0 C--O 1.23 0.077 0 O-C-N 122.236 -0.567 . . . . 0.0 110.356 179.688 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 134' ' ' GLY . . . . . 0.503 ' N ' ' OD1' ' A' ' 133' ' ' ASP . . . 94.05 -11.0 71.41 Favored Glycine 0 C--N 1.33 0.225 0 N-CA-C 110.031 -1.228 . . . . 0.0 110.031 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 135' ' ' GLN . . . . . 0.444 ' H ' ' CG ' ' A' ' 133' ' ' ASP . 8.6 mt-30 -112.55 134.05 54.29 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-O 120.578 0.227 . . . . 0.0 110.509 -179.027 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 136' ' ' VAL . . . . . 0.458 HG23 HG23 ' A' ' 125' ' ' ILE . 48.5 t -81.01 110.11 16.13 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.255 0 N-CA-C 108.366 -0.976 . . . . 0.0 108.366 178.507 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 47.7 p30 -90.12 169.49 11.12 Favored 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 120.814 -0.354 . . . . 0.0 110.325 -179.655 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 79.1 t80 -56.61 -45.83 81.25 Favored 'General case' 0 CA--C 1.531 0.25 0 C-N-CA 120.606 -0.437 . . . . 0.0 111.055 -178.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 35.9 tp10 -56.87 -44.89 82.67 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-O 120.841 0.353 . . . . 0.0 111.056 -179.448 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 140' ' ' GLU . . . . . 0.4 ' OE1' ' OD1' ' A' ' 129' ' ' ASP . 29.6 mt-10 -72.82 -34.41 66.82 Favored 'General case' 0 C--N 1.313 -0.986 0 C-N-CA 120.251 -0.58 . . . . 0.0 109.899 178.9 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 71.5 t80 -64.21 -55.49 21.29 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 120.025 -0.67 . . . . 0.0 109.449 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 142' ' ' VAL . . . . . 0.535 HG13 ' N ' ' A' ' 143' ' ' LYS . 10.5 p -59.43 -43.88 91.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.062 -179.593 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 143' ' ' LYS . . . . . 0.535 ' N ' HG13 ' A' ' 142' ' ' VAL . 64.9 tttm -60.17 -50.77 72.35 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.533 -0.758 . . . . 0.0 109.729 179.187 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 16.3 tmm? -61.39 -37.05 82.02 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.515 0.674 . . . . 0.0 109.364 178.55 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 60.8 tpp -67.74 -40.38 84.16 Favored 'General case' 0 N--CA 1.443 -0.822 0 CA-C-N 115.33 -0.85 . . . . 0.0 109.854 -179.574 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 1.6 ttp -61.39 -34.08 74.74 Favored 'General case' 0 N--CA 1.452 -0.373 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 179.607 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 11.7 m . . . . . 0 C--N 1.332 -0.189 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.6 -179.491 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 83.1 tt0 . . . . . 0 C--O 1.232 0.154 0 N-CA-C 108.573 -0.899 . . . . 0.0 108.573 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 45.1 tt0 -46.07 -45.87 16.47 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.76 -0.376 . . . . 0.0 110.169 179.724 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.689 ' O ' HD23 ' A' ' 85' ' ' LEU . 4.2 tt -60.49 -45.95 91.88 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.11 -0.636 . . . . 0.0 110.382 -179.651 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 50.5 mtpt -59.74 -39.11 83.63 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 120.359 -0.536 . . . . 0.0 110.348 179.526 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 80.4 tt0 -68.3 -50.4 53.79 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.507 -0.477 . . . . 0.0 110.116 179.467 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -55.18 -49.93 70.64 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.472 -0.491 . . . . 0.0 109.848 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.532 ' CD2' HD11 ' A' ' 100' ' ' ILE . 37.7 t80 -56.27 -44.07 79.41 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.895 -0.409 . . . . 0.0 109.895 179.264 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 63.8 tttp -59.75 -33.16 71.31 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.678 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 77.1 t -69.58 -44.77 79.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 C-N-CA 120.618 -0.433 . . . . 0.0 110.843 179.601 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -64.82 -34.62 78.8 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.485 -0.486 . . . . 0.0 110.539 -179.645 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.517 ' OD2' ' N ' ' A' ' 98' ' ' GLY . 28.2 t0 -71.53 63.64 0.41 Allowed 'General case' 0 C--N 1.323 -0.567 0 C-N-CA 120.471 -0.492 . . . . 0.0 110.651 -179.25 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 57.6 tttp -47.29 -47.23 25.35 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 120.448 -0.501 . . . . 0.0 110.464 -179.201 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' ASP . . . . . 0.452 ' OD2' ' ND2' ' A' ' 97' ' ' ASN . 48.5 p-10 -74.91 -3.64 33.29 Favored 'General case' 0 C--N 1.325 -0.472 0 C-N-CA 120.837 -0.345 . . . . 0.0 110.451 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 96' ' ' GLN . . . . . 0.421 ' N ' ' O ' ' A' ' 93' ' ' ASP . 85.9 mt-30 48.73 38.29 11.37 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.157 -179.604 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 97' ' ' ASN . . . . . 0.452 ' ND2' ' OD2' ' A' ' 95' ' ' ASP . 53.0 p-10 -90.29 7.27 39.23 Favored 'General case' 0 N--CA 1.464 0.253 0 C-N-CA 120.741 -0.383 . . . . 0.0 111.312 -179.272 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 98' ' ' GLY . . . . . 0.517 ' N ' ' OD2' ' A' ' 93' ' ' ASP . . . 81.1 -6.12 64.24 Favored Glycine 0 CA--C 1.526 0.726 0 N-CA-C 111.373 -0.691 . . . . 0.0 111.373 179.755 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 41.2 m-85 -125.42 169.84 11.97 Favored 'General case' 0 N--CA 1.469 0.488 0 N-CA-C 109.798 -0.445 . . . . 0.0 109.798 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.532 HD11 ' CD2' ' A' ' 89' ' ' PHE . 78.4 mt -120.8 130.35 74.69 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.43 0 N-CA-C 109.029 -0.73 . . . . 0.0 109.029 178.673 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 86.5 p -104.92 155.23 19.13 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.551 -179.474 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -51.92 -39.16 58.67 Favored 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 120.392 -0.523 . . . . 0.0 109.896 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 80.6 p -60.63 -43.03 97.99 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 120.729 -0.388 . . . . 0.0 110.435 179.497 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -69.21 -40.35 78.03 Favored 'General case' 0 N--CA 1.443 -0.823 0 O-C-N 121.881 -0.512 . . . . 0.0 110.479 179.419 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 36.1 tp -65.0 -43.09 93.67 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 120.822 -0.351 . . . . 0.0 110.8 179.725 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 106' ' ' ARG . . . . . 0.477 ' CG ' ' N ' ' A' ' 107' ' ' HIS . 12.2 ptt180 -61.05 -46.38 90.91 Favored 'General case' 0 C--N 1.323 -0.586 0 C-N-CA 120.168 -0.613 . . . . 0.0 109.956 -179.736 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 107' ' ' HIS . . . . . 0.477 ' N ' ' CG ' ' A' ' 106' ' ' ARG . 18.9 t-80 -57.96 -43.02 86.21 Favored 'General case' 0 N--CA 1.452 -0.364 0 N-CA-C 108.902 -0.777 . . . . 0.0 108.902 -178.628 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 69.5 t -64.44 -43.93 97.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.095 178.918 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 15.6 mmt -60.5 -41.97 95.41 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.558 -0.457 . . . . 0.0 110.244 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 96.9 mt -63.88 -44.1 97.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 N-CA-C 109.751 -0.463 . . . . 0.0 109.751 179.122 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 6.5 t-20 -63.19 -32.82 74.31 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.96 -0.385 . . . . 0.0 109.96 179.496 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 52.6 mt -76.17 -2.65 32.17 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.099 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 84.54 11.53 77.37 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.897 -0.881 . . . . 0.0 110.897 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -108.68 125.06 51.48 Favored 'General case' 0 N--CA 1.466 0.37 0 N-CA-C 109.866 -0.42 . . . . 0.0 109.866 179.817 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.519 ' H ' ' HD2' ' A' ' 115' ' ' LYS . 0.0 OUTLIER -125.69 102.94 7.56 Favored 'General case' 0 N--CA 1.468 0.464 0 N-CA-C 110.041 -0.355 . . . . 0.0 110.041 -179.141 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 4.2 mp -105.33 154.49 20.21 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.938 -0.393 . . . . 0.0 109.938 179.708 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 66.1 p -66.41 162.45 20.43 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.145 -0.622 . . . . 0.0 109.532 -179.759 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -62.0 -38.77 89.87 Favored 'General case' 0 C--O 1.233 0.197 0 C-N-CA 120.303 -0.559 . . . . 0.0 110.561 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -56.84 -34.95 68.29 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.63 -0.428 . . . . 0.0 110.576 179.813 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -73.51 -48.68 31.37 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 120.467 -0.493 . . . . 0.0 110.1 179.115 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 79.0 t -64.67 -44.22 96.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 C-N-CA 120.578 -0.449 . . . . 0.0 110.182 179.405 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 46.3 tp10 -63.88 -37.97 89.35 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.651 -0.419 . . . . 0.0 110.098 179.826 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 59.1 tt0 -71.31 -41.93 69.28 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.722 -0.391 . . . . 0.0 110.446 179.472 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 43.4 ttp -64.16 -42.33 96.78 Favored 'General case' 0 N--CA 1.45 -0.467 0 C-N-CA 120.846 -0.342 . . . . 0.0 110.272 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 4.8 mm -63.78 -45.55 96.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 121.24 0.543 . . . . 0.0 109.821 179.309 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 67.1 mmtt -66.27 -41.47 89.82 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.89 179.154 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 37.6 tp10 -72.91 -35.31 67.04 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.124 179.782 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -71.68 -32.15 67.55 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.264 -179.296 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 129' ' ' ASP . . . . . 0.552 ' OD2' ' N ' ' A' ' 133' ' ' ASP . 20.9 t70 -74.74 119.91 19.56 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.019 0.438 . . . . 0.0 111.621 -178.619 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 45.0 tp -86.6 -24.11 25.5 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.833 -0.622 . . . . 0.0 111.605 179.653 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 131' ' ' ASP . . . . . 0.459 ' OD1' ' OD1' ' A' ' 129' ' ' ASP . 41.5 p-10 -103.42 10.05 37.49 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 121.002 -0.279 . . . . 0.0 111.464 -178.861 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 132' ' ' GLY . . . . . 0.476 ' CA ' ' OD2' ' A' ' 129' ' ' ASP . . . 44.49 29.22 1.74 Allowed Glycine 0 CA--C 1.531 1.092 0 C-N-CA 120.269 -0.967 . . . . 0.0 111.249 179.758 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 133' ' ' ASP . . . . . 0.552 ' N ' ' OD2' ' A' ' 129' ' ' ASP . 17.1 p-10 -73.65 -17.77 61.11 Favored 'General case' 0 C--O 1.231 0.131 0 CA-C-N 117.054 0.427 . . . . 0.0 110.428 179.586 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 98.43 -7.48 61.75 Favored Glycine 0 C--N 1.33 0.195 0 N-CA-C 110.26 -1.136 . . . . 0.0 110.26 179.833 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 135' ' ' GLN . . . . . 0.404 ' H ' ' CG ' ' A' ' 133' ' ' ASP . 3.4 mt-30 -124.6 141.53 52.03 Favored 'General case' 0 N--CA 1.452 -0.375 0 CA-C-O 120.541 0.21 . . . . 0.0 110.555 -178.75 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 22.7 t -80.65 121.56 34.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 N-CA-C 108.524 -0.917 . . . . 0.0 108.524 178.664 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 64.1 t30 -96.35 166.68 11.6 Favored 'General case' 0 N--CA 1.47 0.536 0 N-CA-C 110.187 -0.301 . . . . 0.0 110.187 179.376 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 43.6 t80 -46.82 -52.25 14.65 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 120.598 -0.441 . . . . 0.0 111.019 -178.89 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 83.6 tt0 -58.71 -44.4 90.35 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.656 -0.418 . . . . 0.0 111.299 -179.337 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 71.6 mt-10 -63.5 -41.01 98.54 Favored 'General case' 0 C--N 1.32 -0.68 0 C-N-CA 120.26 -0.576 . . . . 0.0 110.274 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 141' ' ' PHE . . . . . 0.476 ' O ' ' N ' ' A' ' 145' ' ' MET . 56.6 t80 -63.89 -48.95 74.61 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 178.92 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 56.8 t -58.87 -47.38 89.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 N-CA-C 109.127 -0.694 . . . . 0.0 109.127 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 62.6 tttm -63.82 -48.31 77.35 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.94 -0.573 . . . . 0.0 109.844 179.414 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 47.7 ttp -63.1 -43.28 98.91 Favored 'General case' 0 CA--C 1.515 -0.383 0 CA-C-O 121.463 0.649 . . . . 0.0 109.527 178.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 145' ' ' MET . . . . . 0.476 ' N ' ' O ' ' A' ' 141' ' ' PHE . 8.1 tmm? -62.62 -37.93 88.25 Favored 'General case' 0 C--N 1.314 -0.936 0 CA-C-N 115.112 -0.949 . . . . 0.0 110.125 -179.581 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 40.4 mtt -65.99 -40.6 91.34 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.159 179.273 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 26.0 m . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.501 -179.518 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 . . . . . 0 N--CA 1.455 -0.18 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 40.5 tp10 -47.3 -43.0 22.14 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 120.699 -0.4 . . . . 0.0 110.222 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 7.0 tt -62.94 -44.03 97.18 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.399 -0.52 . . . . 0.0 110.476 179.518 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -61.28 -35.82 78.36 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 120.55 -0.46 . . . . 0.0 109.898 179.701 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 82.4 tt0 -67.68 -50.57 57.02 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 109.724 -0.473 . . . . 0.0 109.724 179.438 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -52.76 -45.99 67.31 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 54.7 t80 -55.88 -43.09 76.86 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.664 -0.495 . . . . 0.0 109.664 179.419 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -62.62 -32.39 73.41 Favored 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 120.75 -0.38 . . . . 0.0 110.534 179.509 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 70.4 t -69.51 -48.52 65.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 C-N-CA 120.515 -0.474 . . . . 0.0 110.786 179.44 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -64.54 -32.29 73.87 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.498 -0.481 . . . . 0.0 110.129 179.771 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 63.6 t0 -76.18 57.78 1.16 Allowed 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 120.557 -0.457 . . . . 0.0 110.706 -179.391 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -52.21 -44.91 65.02 Favored 'General case' 0 C--O 1.234 0.255 0 C-N-CA 120.305 -0.558 . . . . 0.0 110.043 -179.584 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' ASP . . . . . 0.453 ' OD2' ' OE2' ' A' ' 104' ' ' GLU . 5.4 m-20 -65.94 -9.12 26.9 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.827 -0.435 . . . . 0.0 109.827 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 99.0 mm-40 53.31 20.14 1.81 Allowed 'General case' 0 C--N 1.324 -0.5 0 C-N-CA 120.493 -0.483 . . . . 0.0 110.292 -179.749 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 46.5 p-10 -77.55 -0.87 27.94 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 120.8 -0.36 . . . . 0.0 111.221 -179.185 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 83.79 -0.62 89.45 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 111.391 -0.683 . . . . 0.0 111.391 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.497 ' CE2' ' OD1' ' A' ' 137' ' ' ASN . 50.3 m-85 -135.03 139.6 44.94 Favored 'General case' 0 N--CA 1.465 0.296 0 O-C-N 122.695 -0.297 . . . . 0.0 110.331 -179.767 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.407 HD13 HG21 ' A' ' 100' ' ' ILE . 14.2 mt -88.22 131.3 36.12 Favored 'Isoleucine or valine' 0 C--O 1.238 0.493 0 N-CA-C 108.686 -0.857 . . . . 0.0 108.686 178.948 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 44.2 t -103.06 159.49 15.47 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.795 -179.172 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -52.16 -41.35 62.51 Favored 'General case' 0 C--O 1.234 0.255 0 C-N-CA 120.297 -0.561 . . . . 0.0 109.988 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 92.8 p -57.01 -39.86 75.55 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 120.76 -0.376 . . . . 0.0 110.363 179.753 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.453 ' OE2' ' OD2' ' A' ' 95' ' ' ASP . 92.1 mt-10 -73.17 -38.56 66.14 Favored 'General case' 0 N--CA 1.441 -0.875 0 C-N-CA 120.48 -0.488 . . . . 0.0 110.256 179.123 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.564 HD13 ' O ' ' A' ' 105' ' ' LEU . 0.2 OUTLIER -61.0 -45.8 93.36 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.487 -0.485 . . . . 0.0 110.756 -179.42 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 106' ' ' ARG . . . . . 0.437 ' HG3' ' N ' ' A' ' 107' ' ' HIS . 41.1 ptt180 -69.15 -42.48 75.88 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 120.348 -0.541 . . . . 0.0 110.401 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 107' ' ' HIS . . . . . 0.437 ' N ' ' HG3' ' A' ' 106' ' ' ARG . 9.3 t-80 -56.86 -40.95 77.09 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 -179.707 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.417 HG23 ' O ' ' A' ' 104' ' ' GLU . 65.2 t -65.17 -43.03 95.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 C-N-CA 120.733 -0.387 . . . . 0.0 110.119 178.797 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 17.2 mmt -59.76 -40.8 89.39 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.61 -0.436 . . . . 0.0 110.125 -179.757 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 97.6 mt -65.47 -44.02 94.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 C-N-CA 120.366 -0.533 . . . . 0.0 109.988 178.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 16.4 t30 -58.96 -30.55 68.0 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.922 -0.399 . . . . 0.0 109.922 179.701 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.413 HD13 ' O ' ' A' ' 108' ' ' VAL . 8.6 mp -82.64 0.28 43.83 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.851 179.392 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 81.89 18.1 68.5 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 -179.846 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -119.82 136.95 54.27 Favored 'General case' 0 N--CA 1.466 0.366 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 179.814 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.417 ' C ' HD22 ' A' ' 116' ' ' LEU . 16.3 pttp -123.8 106.9 10.86 Favored 'General case' 0 N--CA 1.469 0.478 0 N-CA-C 110.086 -0.339 . . . . 0.0 110.086 -179.796 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.656 HD22 ' N ' ' A' ' 116' ' ' LEU . 3.4 mm? -90.59 153.19 20.52 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.85 -0.426 . . . . 0.0 109.85 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 17.0 p -70.68 158.28 36.51 Favored 'General case' 0 C--N 1.331 -0.197 0 C-N-CA 119.981 -0.688 . . . . 0.0 109.48 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -63.35 -41.41 98.85 Favored 'General case' 0 C--N 1.332 -0.188 0 C-N-CA 120.379 -0.528 . . . . 0.0 110.575 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -68.06 -29.97 69.06 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.796 -0.362 . . . . 0.0 110.609 179.669 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 33.8 tp10 -73.81 -48.14 33.52 Favored 'General case' 0 N--CA 1.449 -0.523 0 C-N-CA 120.607 -0.437 . . . . 0.0 110.147 179.384 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 71.1 t -62.42 -47.37 93.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 N-CA-C 109.619 -0.511 . . . . 0.0 109.619 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 75.7 mm-40 -58.95 -35.82 73.78 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.563 -0.455 . . . . 0.0 109.971 179.261 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 48.6 tp60 -62.15 -48.05 81.81 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.46 -0.496 . . . . 0.0 110.419 179.451 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 124' ' ' MET . . . . . 0.44 ' O ' ' N ' ' A' ' 128' ' ' ALA . 58.4 mtm -65.11 -39.8 93.62 Favored 'General case' 0 N--CA 1.449 -0.483 0 C-N-CA 120.803 -0.359 . . . . 0.0 110.245 179.313 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 4.3 mm -63.02 -46.22 96.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 C-N-CA 120.375 -0.53 . . . . 0.0 109.64 179.266 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -69.42 -39.17 78.04 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.893 178.78 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 34.6 tp10 -73.93 -35.99 64.64 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.993 -0.548 . . . . 0.0 111.243 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 0.44 ' N ' ' O ' ' A' ' 124' ' ' MET . . . -75.46 -28.16 59.17 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.283 -179.049 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 129' ' ' ASP . . . . . 0.436 ' OD1' ' OD1' ' A' ' 133' ' ' ASP . 38.4 t0 -72.57 111.89 8.14 Favored 'General case' 0 C--N 1.322 -0.619 0 C-N-CA 120.462 -0.495 . . . . 0.0 111.98 -178.867 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.554 ' H ' ' CD ' ' A' ' 140' ' ' GLU . 8.7 tp -88.43 -23.66 23.24 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.196 179.418 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 31.9 m-20 -89.44 2.26 54.74 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.882 -0.327 . . . . 0.0 111.276 -178.724 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 58.21 5.03 2.08 Favored Glycine 0 CA--C 1.529 0.966 0 C-N-CA 120.28 -0.962 . . . . 0.0 111.111 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 133' ' ' ASP . . . . . 0.436 ' OD1' ' OD1' ' A' ' 129' ' ' ASP . 35.0 p-10 -67.89 -16.9 64.3 Favored 'General case' 0 N--CA 1.461 0.121 0 CA-C-N 117.215 0.508 . . . . 0.0 110.39 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 87.98 7.19 74.48 Favored Glycine 0 C--N 1.33 0.198 0 N-CA-C 110.169 -1.172 . . . . 0.0 110.169 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -121.67 143.74 49.17 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 110.423 -0.214 . . . . 0.0 110.423 -179.079 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 14.6 t -83.56 115.41 25.82 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.305 0 N-CA-C 108.619 -0.882 . . . . 0.0 108.619 178.717 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 137' ' ' ASN . . . . . 0.497 ' OD1' ' CE2' ' A' ' 99' ' ' TYR . 62.0 t30 -96.65 167.34 11.18 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 120.884 -0.326 . . . . 0.0 110.266 179.78 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 77.7 t80 -48.07 -52.33 20.7 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 120.791 -0.363 . . . . 0.0 110.62 -178.754 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 80.0 tt0 -58.94 -44.16 91.32 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.642 -0.423 . . . . 0.0 111.175 -179.376 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 140' ' ' GLU . . . . . 0.554 ' CD ' ' H ' ' A' ' 130' ' ' LEU . 75.7 mt-10 -65.7 -41.02 92.84 Favored 'General case' 0 C--N 1.32 -0.714 0 C-N-CA 120.134 -0.626 . . . . 0.0 110.389 179.814 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 58.4 t80 -63.67 -50.71 68.19 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.224 -0.591 . . . . 0.0 109.528 179.303 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 53.6 t -59.38 -45.44 93.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 115.927 -0.579 . . . . 0.0 109.445 179.681 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 26.2 tptp -61.23 -49.92 75.16 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.878 179.429 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 16.2 tmm? -62.34 -39.38 92.93 Favored 'General case' 0 CA--C 1.512 -0.493 0 CA-C-O 121.41 0.624 . . . . 0.0 109.462 178.606 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 33.6 ttm -67.44 -40.43 85.46 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.256 -0.883 . . . . 0.0 109.944 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 2.9 mmt -62.09 -36.26 81.16 Favored 'General case' 0 N--CA 1.45 -0.444 0 N-CA-C 109.964 -0.384 . . . . 0.0 109.964 179.438 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 96.5 m . . . . . 0 C--N 1.327 -0.41 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.357 -179.459 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 81.3 tt0 . . . . . 0 C--O 1.235 0.335 0 N-CA-C 108.15 -1.055 . . . . 0.0 108.15 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -45.24 -33.47 2.37 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.677 -0.409 . . . . 0.0 110.261 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.661 ' O ' HD23 ' A' ' 85' ' ' LEU . 2.4 tt -61.19 -45.05 96.19 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 120.243 -0.583 . . . . 0.0 110.304 -179.834 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 58.5 mttp -63.08 -40.12 96.73 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 120.37 -0.532 . . . . 0.0 110.361 179.016 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 82.5 tt0 -68.76 -51.95 35.74 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.592 -0.443 . . . . 0.0 109.956 179.679 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -53.16 -45.1 68.31 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 120.508 -0.477 . . . . 0.0 109.735 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 70.3 t80 -58.2 -43.11 87.43 Favored 'General case' 0 N--CA 1.453 -0.28 0 C-N-CA 120.87 -0.332 . . . . 0.0 110.114 179.117 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -64.23 -32.56 74.2 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.897 -0.321 . . . . 0.0 110.655 179.468 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 97.2 t -81.93 -25.88 9.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 C-N-CA 120.678 -0.409 . . . . 0.0 110.678 179.544 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -64.64 -33.67 76.48 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.491 -0.484 . . . . 0.0 110.511 179.615 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.549 ' OD2' ' N ' ' A' ' 98' ' ' GLY . 21.6 t0 -82.59 75.26 9.5 Favored 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 120.382 -0.527 . . . . 0.0 110.902 -178.945 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 64.6 tttp -47.27 -42.91 21.62 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.433 -0.507 . . . . 0.0 109.857 -179.71 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -71.89 -7.47 48.69 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.894 -0.322 . . . . 0.0 110.23 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 96' ' ' GLN . . . . . 0.533 ' N ' ' O ' ' A' ' 93' ' ' ASP . 12.0 mm-40 54.72 32.84 18.21 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.248 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 9.3 m120 -86.28 4.38 39.2 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.614 -0.435 . . . . 0.0 111.032 -179.564 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 98' ' ' GLY . . . . . 0.549 ' N ' ' OD2' ' A' ' 93' ' ' ASP . . . 76.3 -8.17 26.79 Favored Glycine 0 CA--C 1.528 0.845 0 N-CA-C 110.917 -0.873 . . . . 0.0 110.917 -179.558 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 28.0 m-85 -127.15 135.66 51.02 Favored 'General case' 0 N--CA 1.469 0.505 0 O-C-N 122.582 -0.363 . . . . 0.0 110.102 179.675 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 4.3 mt -83.09 122.99 38.23 Favored 'Isoleucine or valine' 0 C--O 1.238 0.467 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 179.161 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 38.5 t -100.29 165.48 11.45 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.67 -179.275 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -54.38 -44.96 72.7 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.299 -0.561 . . . . 0.0 109.937 179.657 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 72.7 m -57.38 -39.87 76.98 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.808 -0.357 . . . . 0.0 110.45 179.568 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.421 ' OE2' ' OD1' ' A' ' 93' ' ' ASP . 77.3 mt-10 -74.13 -39.18 63.49 Favored 'General case' 0 N--CA 1.44 -0.93 0 O-C-N 121.899 -0.501 . . . . 0.0 110.165 179.436 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.557 HD13 ' O ' ' A' ' 105' ' ' LEU . 0.2 OUTLIER -59.84 -46.82 88.07 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 120.534 -0.466 . . . . 0.0 110.295 -179.591 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 106' ' ' ARG . . . . . 0.4 ' HG3' ' N ' ' A' ' 107' ' ' HIS . 16.9 ptm180 -69.99 -41.3 74.57 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 120.304 -0.558 . . . . 0.0 110.289 179.656 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 107' ' ' HIS . . . . . 0.4 ' N ' ' HG3' ' A' ' 106' ' ' ARG . 11.7 t-80 -57.0 -45.18 83.18 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 -179.757 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 73.9 t -64.62 -42.48 95.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 C-N-CA 120.635 -0.426 . . . . 0.0 110.263 178.945 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 7.4 mmt -61.69 -42.4 98.87 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 120.579 -0.448 . . . . 0.0 110.08 -179.645 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 96.7 mt -64.84 -44.51 96.31 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 C-N-CA 120.461 -0.496 . . . . 0.0 109.984 179.186 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 111' ' ' ASN . . . . . 0.401 ' OD1' ' O ' ' A' ' 111' ' ' ASN . 20.7 t-20 -62.57 -32.36 73.33 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 179.556 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 48.7 mt -78.69 -1.06 32.61 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.043 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 83.12 15.25 72.66 Favored Glycine 0 CA--C 1.525 0.717 0 N-CA-C 110.88 -0.888 . . . . 0.0 110.88 -179.828 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 73.2 mt-10 -116.53 133.25 56.23 Favored 'General case' 0 N--CA 1.466 0.344 0 N-CA-C 109.928 -0.397 . . . . 0.0 109.928 179.662 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.54 112.98 9.97 Favored 'General case' 0 N--CA 1.467 0.421 0 N-CA-C 110.034 -0.358 . . . . 0.0 110.034 -179.883 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.905 HD22 ' N ' ' A' ' 116' ' ' LEU . 0.8 OUTLIER -103.14 158.31 16.39 Favored 'General case' 0 N--CA 1.466 0.373 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 -179.857 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 117' ' ' THR . . . . . 0.417 HG22 ' N ' ' A' ' 118' ' ' ASP . 12.2 m -63.26 161.8 13.19 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.112 -0.635 . . . . 0.0 109.415 -179.389 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 118' ' ' ASP . . . . . 0.417 ' N ' HG22 ' A' ' 117' ' ' THR . 47.5 t0 -61.46 -37.56 84.04 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 120.453 -0.499 . . . . 0.0 110.467 -179.767 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -67.09 -30.95 71.13 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.736 -0.386 . . . . 0.0 110.608 179.301 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 56.0 mt-10 -70.58 -46.35 63.62 Favored 'General case' 0 N--CA 1.452 -0.334 0 C-N-CA 120.537 -0.465 . . . . 0.0 110.148 179.298 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 85.8 t -62.38 -48.19 89.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 C-N-CA 120.621 -0.432 . . . . 0.0 110.235 179.685 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -59.17 -39.41 82.39 Favored 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 120.665 -0.414 . . . . 0.0 110.125 179.665 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 -63.92 -47.75 79.31 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.576 -0.45 . . . . 0.0 110.59 179.539 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 124' ' ' MET . . . . . 0.436 ' O ' ' N ' ' A' ' 128' ' ' ALA . 74.7 mtm -64.16 -41.92 96.94 Favored 'General case' 0 N--CA 1.449 -0.487 0 C-N-CA 120.679 -0.408 . . . . 0.0 110.224 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 4.4 mm -64.16 -45.28 96.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 C-N-CA 120.484 -0.486 . . . . 0.0 109.731 179.314 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 27.4 mmtp -68.33 -42.22 79.64 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.788 179.201 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 79.3 tt0 -72.82 -36.33 67.49 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.992 179.791 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 0.436 ' N ' ' O ' ' A' ' 124' ' ' MET . . . -71.73 -32.63 67.96 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.051 -179.425 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 129' ' ' ASP . . . . . 0.452 ' OD1' ' OD1' ' A' ' 133' ' ' ASP . 32.0 t0 -68.65 109.48 3.81 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.012 0.434 . . . . 0.0 111.769 -178.72 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.545 ' N ' ' OE2' ' A' ' 140' ' ' GLU . 48.3 tp -89.94 -30.41 17.86 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.558 179.229 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 131' ' ' ASP . . . . . 0.464 ' OD2' ' ND2' ' A' ' 137' ' ' ASN . 39.9 m-20 -78.39 -11.46 59.95 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 120.862 -0.335 . . . . 0.0 111.519 -178.425 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 70.03 25.18 75.93 Favored Glycine 0 CA--C 1.529 0.91 0 C-N-CA 120.328 -0.939 . . . . 0.0 111.366 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 133' ' ' ASP . . . . . 0.452 ' OD1' ' OD1' ' A' ' 129' ' ' ASP . 41.3 p-10 -94.56 -15.93 23.68 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 117.111 0.455 . . . . 0.0 110.246 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 91.59 0.97 71.86 Favored Glycine 0 C--N 1.33 0.231 0 N-CA-C 110.386 -1.086 . . . . 0.0 110.386 179.851 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 13.7 mt-30 -117.04 138.55 51.52 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.577 0.227 . . . . 0.0 110.564 -179.022 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 40.7 t -86.72 109.48 19.07 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.305 0 N-CA-C 108.419 -0.956 . . . . 0.0 108.419 178.328 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 137' ' ' ASN . . . . . 0.464 ' ND2' ' OD2' ' A' ' 131' ' ' ASP . 55.0 p30 -95.59 175.95 6.35 Favored 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 120.896 -0.322 . . . . 0.0 110.186 -179.909 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 138' ' ' TYR . . . . . 0.433 ' O ' HG12 ' A' ' 142' ' ' VAL . 63.1 t80 -51.7 -43.32 62.73 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.618 -0.433 . . . . 0.0 110.977 -179.155 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 14.1 tm-20 -60.33 -49.28 78.21 Favored 'General case' 0 N--CA 1.466 0.327 0 C-N-CA 120.64 -0.424 . . . . 0.0 111.019 -179.37 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 140' ' ' GLU . . . . . 0.545 ' OE2' ' N ' ' A' ' 130' ' ' LEU . 39.3 mt-10 -68.16 -39.42 82.59 Favored 'General case' 0 C--N 1.313 -0.99 0 C-N-CA 120.129 -0.628 . . . . 0.0 109.849 179.569 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 72.8 t80 -63.54 -55.14 26.25 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.131 -0.628 . . . . 0.0 110.188 -179.416 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 142' ' ' VAL . . . . . 0.554 HG13 ' N ' ' A' ' 143' ' ' LYS . 8.2 p -59.09 -44.78 92.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.65 -179.432 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 143' ' ' LYS . . . . . 0.554 ' N ' HG13 ' A' ' 142' ' ' VAL . 88.5 tttt -61.43 -50.08 74.25 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.704 179.348 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 44.0 ttp -61.33 -39.54 90.92 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.423 0.63 . . . . 0.0 109.335 178.833 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 36.8 ttm -64.51 -39.53 93.95 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.127 -0.942 . . . . 0.0 109.966 -179.767 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 89.5 mtp -63.17 -38.83 92.72 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 110.016 -0.365 . . . . 0.0 110.016 179.369 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 25.3 m . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.403 -179.711 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 80.4 tt0 . . . . . 0 C--O 1.232 0.168 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 51.8 tp10 -46.94 -38.12 10.08 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.716 -0.394 . . . . 0.0 110.367 -179.774 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 54.1 tp -60.9 -46.34 91.04 Favored 'General case' 0 C--N 1.331 -0.208 0 C-N-CA 120.274 -0.571 . . . . 0.0 110.36 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 15.5 mmmt -62.04 -38.97 90.76 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.516 -0.474 . . . . 0.0 110.326 179.647 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 47.0 tp10 -67.89 -52.57 34.95 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.557 -0.457 . . . . 0.0 110.114 179.626 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -52.02 -44.21 64.06 Favored 'General case' 0 N--CA 1.455 -0.225 0 N-CA-C 109.736 -0.468 . . . . 0.0 109.736 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 78.8 t80 -57.35 -45.89 83.89 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 179.46 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 65.0 mmtt -60.55 -33.46 72.71 Favored 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 120.779 -0.368 . . . . 0.0 110.695 179.252 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 97.1 t -72.57 -41.72 63.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 120.921 0.391 . . . . 0.0 110.478 179.139 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -60.21 -35.99 76.66 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.644 -0.422 . . . . 0.0 110.333 -179.458 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 38.1 t0 -70.59 77.89 0.59 Allowed 'General case' 0 C--N 1.324 -0.5 0 C-N-CA 120.428 -0.509 . . . . 0.0 110.951 -178.841 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -54.63 -50.19 68.71 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 120.361 -0.535 . . . . 0.0 109.986 -179.727 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' ASP . . . . . 0.404 ' OD2' ' OE2' ' A' ' 104' ' ' GLU . 4.6 m-20 -73.03 -0.64 14.45 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.953 0.406 . . . . 0.0 110.112 -179.854 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 49.4 tp60 46.2 33.67 1.86 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.01 -179.805 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 47.4 p-10 -88.62 -5.32 58.24 Favored 'General case' 0 N--CA 1.464 0.268 0 C-N-CA 120.719 -0.392 . . . . 0.0 111.322 -179.014 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 95.42 -13.78 66.1 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 12.9 m-85 -122.68 132.66 54.36 Favored 'General case' 0 N--CA 1.47 0.529 0 O-C-N 122.75 -0.264 . . . . 0.0 110.606 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 16.1 mt -82.11 125.6 39.81 Favored 'Isoleucine or valine' 0 C--O 1.232 0.169 0 N-CA-C 108.872 -0.788 . . . . 0.0 108.872 179.195 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 4.2 m -93.65 151.62 19.54 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.489 -179.358 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.458 ' HB1' HH12 ' A' ' 106' ' ' ARG . . . -51.26 -40.32 58.62 Favored 'General case' 0 C--N 1.331 -0.212 0 C-N-CA 120.364 -0.534 . . . . 0.0 109.916 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 69.2 m -60.95 -40.74 94.46 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 120.82 -0.352 . . . . 0.0 110.589 179.446 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.404 ' OE2' ' OD2' ' A' ' 95' ' ' ASP . 79.5 mt-10 -64.64 -39.31 93.47 Favored 'General case' 0 N--CA 1.442 -0.832 0 C-N-CA 120.591 -0.444 . . . . 0.0 110.339 179.626 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.594 HD13 ' O ' ' A' ' 105' ' ' LEU . 0.2 OUTLIER -63.59 -40.67 97.53 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-O 121.229 0.538 . . . . 0.0 109.907 179.824 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 106' ' ' ARG . . . . . 0.458 HH12 ' HB1' ' A' ' 102' ' ' ALA . 93.4 mtm-85 -61.9 -47.23 85.88 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 120.259 -0.576 . . . . 0.0 110.243 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 25.0 m170 -53.53 -42.56 67.54 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.771 -0.455 . . . . 0.0 109.771 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 90.4 t -64.49 -42.11 94.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.305 -0.407 . . . . 0.0 109.991 179.253 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 19.0 mmt -59.28 -43.7 92.51 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.603 -0.439 . . . . 0.0 110.179 -179.415 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.4 ' N ' HD12 ' A' ' 110' ' ' ILE . 2.0 mp -66.85 -42.79 89.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 C-N-CA 120.548 -0.461 . . . . 0.0 109.823 178.822 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 14.1 t-20 -58.6 -34.17 70.82 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.306 -0.406 . . . . 0.0 109.925 -179.78 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 8.4 mp -81.1 -2.25 47.57 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.063 179.308 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 82.3 18.91 65.63 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.954 -0.859 . . . . 0.0 110.954 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -119.79 135.21 54.95 Favored 'General case' 0 N--CA 1.468 0.45 0 N-CA-C 109.639 -0.504 . . . . 0.0 109.639 179.668 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.424 ' C ' HD22 ' A' ' 116' ' ' LEU . 18.0 pttp -137.76 116.28 12.05 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-O 120.77 0.319 . . . . 0.0 110.335 -179.679 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.898 HD22 ' N ' ' A' ' 116' ' ' LEU . 0.9 OUTLIER -105.9 157.57 17.39 Favored 'General case' 0 N--CA 1.467 0.381 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 -179.972 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 69.1 p -65.47 162.97 16.81 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 120.178 -0.609 . . . . 0.0 109.461 -179.644 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 91.5 m-20 -61.49 -40.46 94.62 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.408 -0.517 . . . . 0.0 110.562 -179.725 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 119' ' ' GLU . . . . . 0.404 ' OE1' ' N ' ' A' ' 119' ' ' GLU . 56.5 mp0 -59.16 -36.61 75.59 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.687 -0.405 . . . . 0.0 110.692 179.877 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -71.12 -48.28 53.13 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.449 -0.5 . . . . 0.0 110.348 179.159 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 99.4 t -63.36 -47.68 90.81 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.272 0 C-N-CA 120.634 -0.426 . . . . 0.0 110.191 179.71 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -60.48 -40.95 93.16 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.717 -0.393 . . . . 0.0 110.238 179.46 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 48.5 tp60 -66.3 -43.49 86.14 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 120.653 -0.419 . . . . 0.0 110.453 179.495 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 43.3 ttp -60.73 -41.84 96.12 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-O 120.782 0.325 . . . . 0.0 110.536 -179.704 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 125' ' ' ILE . . . . . 0.447 ' O ' ' OD1' ' A' ' 129' ' ' ASP . 6.7 mm -63.2 -44.55 99.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 N-CA-C 109.577 -0.527 . . . . 0.0 109.577 179.784 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -63.74 -43.4 96.57 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.046 179.63 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -68.39 -37.44 80.37 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.103 179.695 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -76.16 -29.66 57.81 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.307 -179.295 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 129' ' ' ASP . . . . . 0.447 ' OD1' ' O ' ' A' ' 125' ' ' ILE . 2.9 m-20 -74.32 113.33 11.41 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.17 0.509 . . . . 0.0 111.337 -179.067 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 9.5 tp -80.17 -28.31 38.81 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.405 179.804 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 39.2 p-10 -113.26 12.22 18.88 Favored 'General case' 0 N--CA 1.466 0.367 0 N-CA-C 111.729 0.27 . . . . 0.0 111.729 -179.13 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 41.04 39.64 2.1 Favored Glycine 0 CA--C 1.53 1.026 0 C-N-CA 120.484 -0.865 . . . . 0.0 111.379 179.64 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 133' ' ' ASP . . . . . 0.509 ' OD1' ' N ' ' A' ' 134' ' ' GLY . 49.1 p30 -71.12 -16.19 62.55 Favored 'General case' 0 C--O 1.228 -0.049 0 O-C-N 122.463 -0.433 . . . . 0.0 110.268 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 134' ' ' GLY . . . . . 0.509 ' N ' ' OD1' ' A' ' 133' ' ' ASP . . . 105.48 -14.0 47.05 Favored Glycine 0 C--N 1.332 0.358 0 N-CA-C 110.311 -1.116 . . . . 0.0 110.311 179.602 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 135' ' ' GLN . . . . . 0.478 ' N ' ' OD1' ' A' ' 133' ' ' ASP . 28.2 mp0 -132.23 147.91 52.43 Favored 'General case' 0 N--CA 1.448 -0.539 0 CA-C-O 120.743 0.306 . . . . 0.0 110.699 -178.752 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 43.8 t -81.55 119.95 32.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 N-CA-C 108.209 -1.034 . . . . 0.0 108.209 178.69 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 34.7 p30 -95.92 173.8 7.26 Favored 'General case' 0 N--CA 1.467 0.418 0 N-CA-C 110.11 -0.33 . . . . 0.0 110.11 179.776 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 84.6 t80 -53.27 -48.16 68.53 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.461 -0.496 . . . . 0.0 111.149 -178.798 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 80.4 tt0 -57.21 -45.25 83.96 Favored 'General case' 0 C--N 1.333 -0.11 0 CA-C-O 120.998 0.428 . . . . 0.0 110.859 -179.535 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 52.7 mt-10 -70.52 -37.32 74.09 Favored 'General case' 0 C--N 1.319 -0.724 0 C-N-CA 120.063 -0.655 . . . . 0.0 109.674 179.118 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 79.9 t80 -62.6 -56.88 13.79 Favored 'General case' 0 N--CA 1.454 -0.248 0 C-N-CA 120.171 -0.612 . . . . 0.0 109.925 -179.72 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 142' ' ' VAL . . . . . 0.547 HG13 ' N ' ' A' ' 143' ' ' LYS . 11.8 p -57.35 -44.71 84.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 N-CA-C 109.473 -0.565 . . . . 0.0 109.473 -179.595 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 143' ' ' LYS . . . . . 0.547 ' N ' HG13 ' A' ' 142' ' ' VAL . 65.8 tttm -61.94 -49.14 77.32 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.638 179.201 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 60.0 ttp -62.77 -39.62 94.73 Favored 'General case' 0 CA--C 1.513 -0.445 0 CA-C-O 121.676 0.75 . . . . 0.0 109.353 178.872 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 34.9 ttm -62.3 -40.24 95.65 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.103 -0.953 . . . . 0.0 110.064 179.753 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 74.9 mtp -66.07 -41.48 90.7 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.832 -0.347 . . . . 0.0 110.203 179.337 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 25.0 m . . . . . 0 C--N 1.331 -0.21 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.579 -179.585 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 . . . . . 0 N--CA 1.454 -0.244 0 N-CA-C 109.149 -0.686 . . . . 0.0 109.149 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -48.34 -43.74 33.62 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.619 -0.432 . . . . 0.0 110.446 -179.666 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.472 HD23 ' OH ' ' A' ' 138' ' ' TYR . 57.4 tp -62.79 -45.58 91.97 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.365 -0.534 . . . . 0.0 110.404 179.353 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 62.6 tttp -59.27 -33.73 71.41 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 120.434 -0.507 . . . . 0.0 110.221 179.765 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -68.74 -50.84 47.35 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 109.91 -0.404 . . . . 0.0 109.91 179.622 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -52.51 -47.35 66.7 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.333 -0.547 . . . . 0.0 109.875 179.761 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 32.1 t80 -56.71 -42.28 78.89 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.746 -0.382 . . . . 0.0 110.037 179.13 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 62.3 tttp -61.1 -33.05 72.74 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.776 -0.369 . . . . 0.0 110.472 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 85.4 t -69.57 -46.4 75.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 C-N-CA 120.518 -0.473 . . . . 0.0 110.667 179.569 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -65.56 -34.44 78.26 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 120.448 -0.501 . . . . 0.0 110.211 179.615 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 41.0 t0 -71.16 60.36 0.27 Allowed 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 120.447 -0.501 . . . . 0.0 110.71 -179.36 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 55.6 mtpt -52.9 -48.19 67.38 Favored 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 120.343 -0.543 . . . . 0.0 110.215 -179.214 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -67.23 -7.71 26.08 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.941 0.4 . . . . 0.0 109.997 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 26.6 mm-40 50.9 28.66 3.88 Favored 'General case' 0 C--N 1.325 -0.494 0 C-N-CA 120.414 -0.514 . . . . 0.0 110.184 -179.605 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 97' ' ' ASN . . . . . 0.428 ' OD1' ' O ' ' A' ' 99' ' ' TYR . 47.4 p30 -86.39 4.7 38.25 Favored 'General case' 0 C--N 1.328 -0.347 0 O-C-N 121.965 -0.459 . . . . 0.0 111.126 -179.156 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 81.02 -7.16 60.49 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 111.221 -0.751 . . . . 0.0 111.221 179.826 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.428 ' O ' ' OD1' ' A' ' 97' ' ' ASN . 39.2 m-85 -128.67 134.97 48.67 Favored 'General case' 0 N--CA 1.469 0.477 0 N-CA-C 110.203 -0.295 . . . . 0.0 110.203 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 30.4 mt -83.2 127.98 39.19 Favored 'Isoleucine or valine' 0 C--O 1.235 0.308 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 179.037 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 24.9 m -95.13 155.51 16.7 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 116.541 -0.299 . . . . 0.0 110.675 -179.335 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -51.62 -41.88 61.6 Favored 'General case' 0 C--N 1.331 -0.199 0 C-N-CA 120.251 -0.579 . . . . 0.0 110.076 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 79.3 p -60.05 -37.89 81.16 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 120.663 -0.415 . . . . 0.0 110.661 179.673 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 80.3 mt-10 -68.31 -39.05 82.13 Favored 'General case' 0 N--CA 1.448 -0.538 0 C-N-CA 120.448 -0.501 . . . . 0.0 110.463 179.401 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 30.8 tp -62.84 -42.54 99.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.1 0.476 . . . . 0.0 110.134 179.11 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 84.9 mtp180 -60.22 -45.35 93.51 Favored 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 120.211 -0.596 . . . . 0.0 109.861 179.787 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 11.7 t-160 -57.56 -42.64 83.42 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.481 -0.487 . . . . 0.0 109.783 179.436 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 63.2 t -62.94 -45.49 98.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 C-N-CA 120.578 -0.449 . . . . 0.0 110.183 179.023 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 109' ' ' MET . . . . . 0.402 ' O ' ' O ' ' A' ' 114' ' ' GLU . 19.4 mmt -60.33 -42.68 96.16 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.549 -0.46 . . . . 0.0 110.157 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 95.7 mt -63.4 -44.03 98.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 179.038 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 26.2 t-20 -62.5 -35.14 78.43 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.698 -0.401 . . . . 0.0 110.074 179.544 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 49.4 mt -72.52 -5.04 34.24 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.864 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 85.37 17.6 62.11 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 110.888 -0.885 . . . . 0.0 110.888 179.754 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 114' ' ' GLU . . . . . 0.402 ' O ' ' O ' ' A' ' 109' ' ' MET . 97.2 mt-10 -126.9 143.21 51.34 Favored 'General case' 0 N--CA 1.467 0.381 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 179.655 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 18.6 ptmt -139.69 121.36 15.31 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-O 120.76 0.314 . . . . 0.0 110.182 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 48.2 mt -110.15 157.22 19.62 Favored 'General case' 0 N--CA 1.465 0.283 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 8.4 p -69.33 167.05 17.25 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.144 -0.623 . . . . 0.0 109.551 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 97.0 m-20 -62.57 -41.9 99.22 Favored 'General case' 0 C--N 1.332 -0.194 0 C-N-CA 120.417 -0.513 . . . . 0.0 110.777 -179.823 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 -54.58 -37.67 65.79 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.712 -0.395 . . . . 0.0 110.641 179.771 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 -73.04 -48.48 35.72 Favored 'General case' 0 N--CA 1.449 -0.491 0 C-N-CA 120.439 -0.504 . . . . 0.0 110.168 179.021 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 90.6 t -62.72 -47.63 91.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 C-N-CA 120.44 -0.504 . . . . 0.0 109.984 179.743 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -57.96 -36.89 73.21 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.511 -0.476 . . . . 0.0 110.342 179.601 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 83.5 mt-30 -71.6 -36.54 70.86 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.643 -0.423 . . . . 0.0 110.698 179.126 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 26.3 tpp -64.24 -44.68 91.06 Favored 'General case' 0 N--CA 1.448 -0.557 0 C-N-CA 120.788 -0.365 . . . . 0.0 110.302 -179.793 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 125' ' ' ILE . . . . . 0.431 HG22 ' OD2' ' A' ' 129' ' ' ASP . 12.1 mm -62.57 -48.6 87.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 C-N-CA 120.527 -0.469 . . . . 0.0 110.001 179.279 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -63.33 -43.7 97.01 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.75 179.456 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 81.8 tt0 -68.85 -37.51 79.16 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.915 179.585 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -76.14 -29.59 57.84 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.972 -179.611 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 129' ' ' ASP . . . . . 0.431 ' OD2' HG22 ' A' ' 125' ' ' ILE . 88.7 m-20 -76.34 118.73 19.33 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 120.403 -0.519 . . . . 0.0 111.37 -178.947 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 46.6 tp -74.9 -26.34 59.58 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.245 179.675 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 131' ' ' ASP . . . . . 0.432 ' O ' ' C ' ' A' ' 132' ' ' GLY . 43.7 p-10 -114.35 19.86 15.93 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 121.014 -0.274 . . . . 0.0 111.389 -179.219 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 132' ' ' GLY . . . . . 0.432 ' C ' ' O ' ' A' ' 131' ' ' ASP . . . 39.65 39.17 1.21 Allowed Glycine 0 CA--C 1.531 1.091 0 C-N-CA 120.28 -0.962 . . . . 0.0 111.369 -179.899 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 133' ' ' ASP . . . . . 0.556 ' OD1' ' N ' ' A' ' 134' ' ' GLY . 43.8 p-10 -76.91 -18.04 58.55 Favored 'General case' 0 CA--C 1.528 0.098 0 CA-C-N 117.132 0.466 . . . . 0.0 110.312 179.701 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 134' ' ' GLY . . . . . 0.556 ' N ' ' OD1' ' A' ' 133' ' ' ASP . . . 96.24 -10.29 67.48 Favored Glycine 0 C--N 1.33 0.2 0 N-CA-C 110.269 -1.132 . . . . 0.0 110.269 179.873 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 135' ' ' GLN . . . . . 0.51 ' N ' ' OD1' ' A' ' 133' ' ' ASP . 17.2 mt-30 -117.84 132.76 56.4 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-O 120.566 0.222 . . . . 0.0 110.403 -179.063 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 98.8 t -82.58 118.51 30.41 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.278 0 N-CA-C 108.671 -0.862 . . . . 0.0 108.671 178.603 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 137' ' ' ASN . . . . . 0.402 ' ND2' ' CE2' ' A' ' 99' ' ' TYR . 17.9 t-20 -95.79 170.13 9.53 Favored 'General case' 0 N--CA 1.47 0.571 0 N-CA-C 110.019 -0.363 . . . . 0.0 110.019 179.818 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 138' ' ' TYR . . . . . 0.472 ' OH ' HD23 ' A' ' 85' ' ' LEU . 60.9 t80 -53.14 -46.15 68.7 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.694 -0.402 . . . . 0.0 110.977 -178.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -56.55 -45.73 81.07 Favored 'General case' 0 CA--C 1.517 -0.302 0 C-N-CA 120.688 -0.405 . . . . 0.0 111.177 -179.42 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -69.54 -37.23 76.98 Favored 'General case' 0 C--N 1.313 -1.022 0 C-N-CA 119.993 -0.683 . . . . 0.0 110.111 179.383 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 33.5 t80 -63.5 -56.41 16.29 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 119.998 -0.681 . . . . 0.0 109.777 -179.512 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 142' ' ' VAL . . . . . 0.502 HG13 ' N ' ' A' ' 143' ' ' LYS . 11.7 p -57.72 -41.98 80.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-O 121.313 0.578 . . . . 0.0 109.971 -179.528 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 143' ' ' LYS . . . . . 0.502 ' N ' HG13 ' A' ' 142' ' ' VAL . 88.7 tttt -63.1 -50.53 70.17 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.564 -0.743 . . . . 0.0 109.688 178.905 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 47.6 ttp -62.96 -38.71 92.17 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.096 -0.705 . . . . 0.0 109.096 178.717 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 56.3 tpp -62.7 -41.02 98.91 Favored 'General case' 0 N--CA 1.443 -0.781 0 CA-C-N 115.367 -0.833 . . . . 0.0 109.573 -179.615 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 3.1 mmt -62.4 -37.89 87.5 Favored 'General case' 0 N--CA 1.452 -0.351 0 N-CA-C 109.896 -0.409 . . . . 0.0 109.896 179.53 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 9.8 m . . . . . 0 C--N 1.331 -0.211 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.583 -179.706 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 . . . . . 0 N--CA 1.456 -0.127 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 -47.14 -37.67 10.33 Favored 'General case' 0 C--N 1.328 -0.326 0 C-N-CA 120.699 -0.4 . . . . 0.0 110.542 -179.863 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 57.7 tp -62.24 -44.83 95.66 Favored 'General case' 0 C--N 1.332 -0.18 0 C-N-CA 120.365 -0.534 . . . . 0.0 110.223 179.702 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 27.8 tptp -62.86 -37.11 85.58 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 120.455 -0.498 . . . . 0.0 110.264 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 80.3 tt0 -67.38 -52.2 42.88 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 120.563 -0.455 . . . . 0.0 110.091 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -53.27 -43.84 67.76 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 120.553 -0.459 . . . . 0.0 109.808 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 75.6 t80 -56.84 -45.31 82.45 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.981 -0.377 . . . . 0.0 109.981 179.435 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 53.5 mtpt -63.32 -31.26 72.36 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.869 -0.333 . . . . 0.0 110.865 179.217 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 62.1 t -83.2 -24.17 8.2 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 C-N-CA 120.853 -0.339 . . . . 0.0 110.648 179.512 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -69.5 -34.82 74.86 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.7 -0.4 . . . . 0.0 110.829 179.569 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.536 ' OD2' ' N ' ' A' ' 98' ' ' GLY . 39.0 t0 -74.87 83.67 2.18 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 120.455 -0.498 . . . . 0.0 111.193 -178.542 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 64.2 tttp -55.48 -49.42 72.57 Favored 'General case' 0 C--N 1.333 -0.133 0 N-CA-C 109.545 -0.539 . . . . 0.0 109.545 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 95' ' ' ASP . . . . . 0.429 ' OD2' ' OE2' ' A' ' 104' ' ' GLU . 9.7 m-20 -71.19 -6.7 41.54 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.986 0.422 . . . . 0.0 109.934 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 89.3 mt-30 49.11 33.65 5.08 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.191 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 97' ' ' ASN . . . . . 0.532 ' N ' ' OD2' ' A' ' 93' ' ' ASP . 30.2 p30 -88.49 -0.1 56.86 Favored 'General case' 0 N--CA 1.463 0.2 0 C-N-CA 120.969 -0.293 . . . . 0.0 111.416 -179.397 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 98' ' ' GLY . . . . . 0.536 ' N ' ' OD2' ' A' ' 93' ' ' ASP . . . 89.71 -4.32 83.58 Favored Glycine 0 CA--C 1.526 0.769 0 N-CA-C 111.427 -0.669 . . . . 0.0 111.427 179.649 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 57.9 m-85 -131.17 137.23 48.89 Favored 'General case' 0 N--CA 1.466 0.344 0 O-C-N 122.81 -0.229 . . . . 0.0 110.443 -179.779 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.407 HD13 HG21 ' A' ' 100' ' ' ILE . 6.9 mt -86.22 127.88 39.88 Favored 'Isoleucine or valine' 0 C--O 1.237 0.421 0 N-CA-C 108.859 -0.793 . . . . 0.0 108.859 178.94 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 101' ' ' SER . . . . . 0.472 ' CB ' HE22 ' A' ' 135' ' ' GLN . 15.2 m -99.38 155.23 17.64 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.539 -179.475 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -52.96 -41.37 64.46 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.289 -0.564 . . . . 0.0 110.079 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 67.0 m -60.17 -42.52 95.14 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 120.795 -0.362 . . . . 0.0 110.768 179.437 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.429 ' OE2' ' OD2' ' A' ' 95' ' ' ASP . 90.4 mt-10 -64.56 -37.95 89.32 Favored 'General case' 0 N--CA 1.442 -0.832 0 C-N-CA 120.653 -0.419 . . . . 0.0 110.199 179.669 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.572 HD13 ' O ' ' A' ' 105' ' ' LEU . 0.2 OUTLIER -63.89 -41.18 97.79 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-O 121.352 0.596 . . . . 0.0 109.942 179.735 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 95.3 mtm-85 -61.37 -45.72 93.2 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 120.371 -0.532 . . . . 0.0 110.127 -179.773 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 10.8 t-80 -57.89 -42.95 85.71 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.57 -0.452 . . . . 0.0 109.787 179.436 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 81.5 t -61.64 -45.93 97.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 C-N-CA 120.646 -0.422 . . . . 0.0 110.058 179.269 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 109' ' ' MET . . . . . 0.453 ' O ' ' O ' ' A' ' 114' ' ' GLU . 36.7 mtt -57.67 -40.65 79.84 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.624 -0.43 . . . . 0.0 110.072 -179.761 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 97.1 mt -65.25 -43.2 95.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 C-N-CA 120.539 -0.464 . . . . 0.0 110.091 178.849 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 -62.16 -36.82 83.01 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.371 179.721 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 8.9 mp -75.47 -1.09 22.52 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.079 179.694 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 79.66 15.48 79.44 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 179.858 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 114' ' ' GLU . . . . . 0.453 ' O ' ' O ' ' A' ' 109' ' ' MET . 97.0 mt-10 -116.46 137.78 51.9 Favored 'General case' 0 N--CA 1.466 0.352 0 N-CA-C 109.875 -0.417 . . . . 0.0 109.875 179.672 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.18 111.48 7.51 Favored 'General case' 0 N--CA 1.47 0.525 0 N-CA-C 109.725 -0.472 . . . . 0.0 109.725 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.561 ' N ' HD12 ' A' ' 116' ' ' LEU . 6.2 mp -105.97 168.19 9.29 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 179.845 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 9.7 p -73.56 161.53 30.24 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.224 -0.59 . . . . 0.0 109.482 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 93.7 m-20 -62.01 -40.41 95.58 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.392 -0.523 . . . . 0.0 110.567 -179.659 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -56.27 -34.96 66.92 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 120.627 -0.429 . . . . 0.0 110.672 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 -73.85 -49.11 26.61 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 120.412 -0.515 . . . . 0.0 110.361 179.131 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 98.6 t -64.41 -44.52 97.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 C-N-CA 120.694 -0.402 . . . . 0.0 110.166 179.527 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -65.42 -41.45 93.55 Favored 'General case' 0 CA--C 1.516 -0.336 0 C-N-CA 120.889 -0.324 . . . . 0.0 110.34 179.392 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 56.8 tt0 -66.39 -43.05 86.95 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.614 -0.434 . . . . 0.0 110.578 179.262 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 124' ' ' MET . . . . . 0.406 ' O ' ' N ' ' A' ' 128' ' ' ALA . 64.6 ttp -66.48 -41.19 89.33 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-O 120.91 0.386 . . . . 0.0 110.22 179.19 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 3.0 mm -61.24 -63.92 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 C-N-CA 120.311 -0.556 . . . . 0.0 109.787 179.762 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 16.9 ptmt -53.12 -37.59 61.9 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.627 -178.786 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 82.2 tt0 -73.38 -34.67 65.69 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.688 179.781 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 0.406 ' N ' ' O ' ' A' ' 124' ' ' MET . . . -69.03 -32.26 71.64 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.791 -0.641 . . . . 0.0 111.143 -179.462 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 129' ' ' ASP . . . . . 0.56 ' OD2' ' N ' ' A' ' 133' ' ' ASP . 35.0 t70 -75.4 121.95 23.04 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.141 0.496 . . . . 0.0 111.788 -179.055 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 10.2 tp -86.52 -24.81 25.39 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.623 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 131' ' ' ASP . . . . . 0.44 ' OD1' ' OD2' ' A' ' 129' ' ' ASP . 27.4 p30 -98.68 12.09 36.51 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 111.725 0.268 . . . . 0.0 111.725 -178.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 132' ' ' GLY . . . . . 0.549 ' N ' ' OD2' ' A' ' 129' ' ' ASP . . . 45.69 23.7 1.01 Allowed Glycine 0 CA--C 1.53 0.999 0 C-N-CA 120.378 -0.915 . . . . 0.0 111.258 179.728 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 133' ' ' ASP . . . . . 0.56 ' N ' ' OD2' ' A' ' 129' ' ' ASP . 45.2 p-10 -71.68 -16.59 62.25 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 117.043 0.421 . . . . 0.0 110.373 179.636 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 134' ' ' GLY . . . . . 0.453 ' N ' ' OD1' ' A' ' 133' ' ' ASP . . . 94.55 -5.33 70.22 Favored Glycine 0 N--CA 1.459 0.193 0 N-CA-C 110.205 -1.158 . . . . 0.0 110.205 179.644 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 135' ' ' GLN . . . . . 0.472 HE22 ' CB ' ' A' ' 101' ' ' SER . 60.8 mm-40 -122.69 142.68 50.43 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-O 120.857 0.36 . . . . 0.0 110.69 -178.938 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 24.3 t -87.07 115.63 28.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 N-CA-C 108.434 -0.95 . . . . 0.0 108.434 178.512 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 42.3 t30 -91.95 169.68 10.47 Favored 'General case' 0 N--CA 1.467 0.407 0 N-CA-C 110.176 -0.305 . . . . 0.0 110.176 179.359 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 89.1 t80 -50.4 -49.1 55.54 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.724 -0.39 . . . . 0.0 111.112 -178.764 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 139' ' ' GLU . . . . . 0.429 ' CG ' ' N ' ' A' ' 140' ' ' GLU . 10.5 pt-20 -58.27 -42.04 85.64 Favored 'General case' 0 N--CA 1.456 -0.172 0 CA-C-O 121.034 0.445 . . . . 0.0 110.797 -179.335 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 140' ' ' GLU . . . . . 0.429 ' N ' ' CG ' ' A' ' 139' ' ' GLU . 57.5 mt-10 -70.55 -38.96 74.24 Favored 'General case' 0 C--N 1.321 -0.651 0 C-N-CA 120.07 -0.652 . . . . 0.0 109.553 179.648 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 74.0 t80 -61.95 -55.5 28.82 Favored 'General case' 0 N--CA 1.455 -0.192 0 C-N-CA 120.051 -0.659 . . . . 0.0 110.307 -179.854 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 142' ' ' VAL . . . . . 0.483 HG13 ' N ' ' A' ' 143' ' ' LYS . 14.5 p -58.51 -41.26 81.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 -179.756 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 143' ' ' LYS . . . . . 0.483 ' N ' HG13 ' A' ' 142' ' ' VAL . 28.5 tptp -61.78 -49.73 75.2 Favored 'General case' 0 N--CA 1.446 -0.648 0 CA-C-N 115.925 -0.58 . . . . 0.0 109.901 179.217 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 8.1 tmm? -61.67 -37.09 82.82 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.068 -0.716 . . . . 0.0 109.068 178.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 45.5 tpp -64.73 -38.74 92.02 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.021 -0.99 . . . . 0.0 109.555 -179.732 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 75.6 mmm -64.12 -39.69 94.57 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.938 -0.393 . . . . 0.0 109.938 179.47 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 40.7 m . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.471 179.932 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 . . . . . 0 C--O 1.232 0.171 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 46.8 tp10 -44.68 -42.22 7.37 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.577 -0.449 . . . . 0.0 110.443 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 19.6 mt -62.94 -44.36 96.29 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.299 -0.56 . . . . 0.0 110.475 179.699 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -63.05 -41.5 99.49 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 120.329 -0.548 . . . . 0.0 109.925 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -65.1 -53.89 38.44 Favored 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 120.493 -0.483 . . . . 0.0 109.878 179.75 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -53.4 -47.33 69.63 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 120.434 -0.506 . . . . 0.0 109.73 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 42.7 t80 -56.62 -43.65 80.39 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.808 -0.441 . . . . 0.0 109.808 179.306 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 89.0 tttt -60.96 -33.09 72.66 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 120.742 -0.383 . . . . 0.0 110.577 179.777 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 69.5 t -69.74 -47.78 68.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 C-N-CA 120.407 -0.517 . . . . 0.0 110.962 179.457 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -63.16 -34.01 76.69 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.397 -0.521 . . . . 0.0 110.251 179.851 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.513 ' O ' ' N ' ' A' ' 96' ' ' GLN . 41.4 t0 -73.85 59.44 0.68 Allowed 'General case' 0 C--N 1.324 -0.5 0 C-N-CA 120.527 -0.469 . . . . 0.0 110.738 -179.284 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.417 ' HE3' ' CD2' ' A' ' 107' ' ' HIS . 67.7 mmtt -46.84 -44.74 19.66 Favored 'General case' 0 C--N 1.333 -0.135 0 C-N-CA 120.232 -0.587 . . . . 0.0 110.344 -179.631 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 95' ' ' ASP . . . . . 0.423 ' OD2' ' OE2' ' A' ' 104' ' ' GLU . 6.4 m-20 -71.92 -6.98 45.88 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 120.84 -0.344 . . . . 0.0 110.161 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 96' ' ' GLN . . . . . 0.513 ' N ' ' O ' ' A' ' 93' ' ' ASP . 77.4 mt-30 48.65 34.82 5.4 Favored 'General case' 0 C--N 1.322 -0.595 0 C-N-CA 120.55 -0.46 . . . . 0.0 110.223 -179.801 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 97' ' ' ASN . . . . . 0.418 ' OD1' ' O ' ' A' ' 99' ' ' TYR . 18.8 p30 -90.46 2.78 55.34 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 120.74 -0.384 . . . . 0.0 111.215 -179.313 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 87.64 -8.87 75.96 Favored Glycine 0 CA--C 1.524 0.654 0 C-N-CA 120.8 -0.714 . . . . 0.0 111.418 179.593 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.442 ' CE2' ' OD1' ' A' ' 137' ' ' ASN . 67.0 m-85 -130.97 135.8 47.96 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 116.673 0.236 . . . . 0.0 110.391 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 20.2 mt -83.44 127.51 39.67 Favored 'Isoleucine or valine' 0 C--O 1.235 0.303 0 N-CA-C 108.86 -0.793 . . . . 0.0 108.86 179.195 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 17.2 m -91.63 157.21 17.1 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.628 -179.315 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -52.15 -42.66 63.56 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 120.257 -0.577 . . . . 0.0 110.091 179.685 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 44.8 t -59.32 -40.21 85.56 Favored 'General case' 0 C--O 1.238 0.478 0 CA-C-O 120.909 0.385 . . . . 0.0 110.531 179.582 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.423 ' OE2' ' OD2' ' A' ' 95' ' ' ASP . 94.3 mt-10 -68.0 -38.56 82.8 Favored 'General case' 0 N--CA 1.448 -0.565 0 O-C-N 121.812 -0.555 . . . . 0.0 110.406 179.069 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.548 ' CD1' ' SD ' ' A' ' 109' ' ' MET . 0.2 OUTLIER -59.55 -40.77 88.35 Favored 'General case' 0 CA--C 1.537 0.458 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 179.642 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 84.2 mtp180 -63.12 -42.44 99.54 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.6 -0.519 . . . . 0.0 109.6 179.48 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 107' ' ' HIS . . . . . 0.417 ' CD2' ' HE3' ' A' ' 94' ' ' LYS . 32.8 t60 -55.33 -32.41 62.48 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 109.57 -0.53 . . . . 0.0 109.57 179.15 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.508 ' O ' HD13 ' A' ' 112' ' ' LEU . 94.5 t -74.09 -44.09 50.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 C-N-CA 120.507 -0.477 . . . . 0.0 110.387 178.597 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 109' ' ' MET . . . . . 0.567 ' SD ' ' N ' ' A' ' 109' ' ' MET . 0.0 OUTLIER -62.28 -48.14 81.2 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.291 -0.564 . . . . 0.0 111.296 -179.684 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.702 HD12 ' N ' ' A' ' 111' ' ' ASN . 2.7 pp -65.76 -42.92 93.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 C-N-CA 120.385 -0.526 . . . . 0.0 109.904 179.268 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 111' ' ' ASN . . . . . 0.702 ' N ' HD12 ' A' ' 110' ' ' ILE . 20.5 t30 -58.8 -33.89 70.87 Favored 'General case' 0 C--N 1.332 -0.157 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 179.881 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.508 HD13 ' O ' ' A' ' 108' ' ' VAL . 7.2 mp -80.18 -1.34 39.98 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.984 179.161 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 83.35 21.33 58.73 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -119.96 136.57 54.48 Favored 'General case' 0 N--CA 1.466 0.359 0 N-CA-C 109.634 -0.506 . . . . 0.0 109.634 179.743 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 31.4 pttt -130.22 112.81 13.71 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-O 120.634 0.254 . . . . 0.0 110.349 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 65.0 mt -109.18 155.25 21.27 Favored 'General case' 0 N--CA 1.466 0.334 0 N-CA-C 109.56 -0.533 . . . . 0.0 109.56 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 117' ' ' THR . . . . . 0.405 HG22 ' N ' ' A' ' 118' ' ' ASP . 12.8 m -64.32 160.47 18.79 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.203 -0.599 . . . . 0.0 109.538 -179.763 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 118' ' ' ASP . . . . . 0.405 ' N ' HG22 ' A' ' 117' ' ' THR . 41.8 t0 -62.47 -35.55 79.68 Favored 'General case' 0 C--O 1.234 0.261 0 C-N-CA 120.475 -0.49 . . . . 0.0 110.467 -179.738 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -64.35 -34.61 78.55 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.688 -0.405 . . . . 0.0 110.646 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -71.26 -45.53 62.97 Favored 'General case' 0 N--CA 1.451 -0.411 0 C-N-CA 120.463 -0.495 . . . . 0.0 110.01 179.272 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 70.5 t -63.25 -49.22 83.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 C-N-CA 120.42 -0.512 . . . . 0.0 110.143 179.706 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -56.37 -36.68 69.11 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.621 -0.432 . . . . 0.0 110.215 179.447 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 59.1 tt0 -67.18 -38.46 85.44 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.569 -0.453 . . . . 0.0 110.472 179.359 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 93.9 mtp -64.35 -41.95 96.49 Favored 'General case' 0 N--CA 1.449 -0.513 0 C-N-CA 120.73 -0.388 . . . . 0.0 110.373 179.83 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 7.3 mm -62.73 -48.85 86.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 N-CA-C 109.761 -0.459 . . . . 0.0 109.761 179.213 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -63.42 -44.52 94.37 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.619 179.611 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 78.4 tt0 -68.07 -37.66 81.53 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.961 179.705 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -75.45 -31.0 60.15 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.21 -179.664 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 129' ' ' ASP . . . . . 0.423 ' OD2' ' OD1' ' A' ' 133' ' ' ASP . 2.1 m-20 -77.48 122.77 25.67 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 120.437 -0.505 . . . . 0.0 111.231 -178.607 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 5.8 tt -80.3 -24.17 40.17 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.488 179.82 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 131' ' ' ASP . . . . . 0.41 ' O ' ' C ' ' A' ' 132' ' ' GLY . 36.4 p30 -111.36 18.15 19.49 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 121.083 -0.247 . . . . 0.0 111.465 -179.086 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 132' ' ' GLY . . . . . 0.41 ' C ' ' O ' ' A' ' 131' ' ' ASP . . . 40.17 34.78 0.64 Allowed Glycine 0 CA--C 1.531 1.08 0 C-N-CA 120.306 -0.95 . . . . 0.0 111.464 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 133' ' ' ASP . . . . . 0.553 ' OD1' ' N ' ' A' ' 134' ' ' GLY . 51.2 p-10 -76.45 -18.16 58.93 Favored 'General case' 0 N--CA 1.461 0.123 0 C-N-CA 120.54 -0.464 . . . . 0.0 110.262 179.844 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 134' ' ' GLY . . . . . 0.553 ' N ' ' OD1' ' A' ' 133' ' ' ASP . . . 96.35 -10.52 67.27 Favored Glycine 0 C--N 1.331 0.263 0 N-CA-C 110.259 -1.136 . . . . 0.0 110.259 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 135' ' ' GLN . . . . . 0.478 ' N ' ' OD1' ' A' ' 133' ' ' ASP . 12.4 mt-30 -114.88 130.99 57.0 Favored 'General case' 0 N--CA 1.449 -0.516 0 N-CA-C 110.554 -0.165 . . . . 0.0 110.554 -178.93 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 94.7 t -79.92 121.15 32.71 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.254 0 N-CA-C 108.493 -0.929 . . . . 0.0 108.493 178.857 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 137' ' ' ASN . . . . . 0.442 ' OD1' ' CE2' ' A' ' 99' ' ' TYR . 57.7 t30 -96.31 164.36 12.68 Favored 'General case' 0 N--CA 1.471 0.625 0 N-CA-C 110.094 -0.336 . . . . 0.0 110.094 -179.864 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 138' ' ' TYR . . . . . 0.439 ' CE2' HG21 ' A' ' 142' ' ' VAL . 88.0 t80 -46.29 -50.68 15.84 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 120.604 -0.438 . . . . 0.0 111.009 -178.93 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 82.6 tt0 -58.81 -43.61 90.61 Favored 'General case' 0 CA--C 1.516 -0.357 0 C-N-CA 120.637 -0.425 . . . . 0.0 111.397 -179.172 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -65.37 -42.12 93.09 Favored 'General case' 0 C--N 1.317 -0.812 0 C-N-CA 119.981 -0.688 . . . . 0.0 110.28 179.84 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 49.8 t80 -62.3 -50.33 72.08 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.276 -0.638 . . . . 0.0 109.276 179.333 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 142' ' ' VAL . . . . . 0.439 HG21 ' CE2' ' A' ' 138' ' ' TYR . 47.7 t -58.85 -45.76 91.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.547 179.648 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 62.7 tttp -61.54 -49.53 76.31 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.782 -0.645 . . . . 0.0 109.83 179.404 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 13.2 tmm? -63.11 -41.07 99.28 Favored 'General case' 0 CA--C 1.51 -0.596 0 CA-C-O 121.549 0.69 . . . . 0.0 109.606 178.696 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 36.1 ttm -69.2 -41.22 77.4 Favored 'General case' 0 N--CA 1.445 -0.709 0 CA-C-N 115.256 -0.884 . . . . 0.0 110.274 -179.79 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 146' ' ' MET . . . . . 0.405 ' N ' ' O ' ' A' ' 142' ' ' VAL . 15.6 mmt -64.88 -39.2 93.17 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.08 179.471 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 33.4 m . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.275 -179.546 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.47 ' OE1' ' N ' ' A' ' 83' ' ' GLU . 57.0 mp0 . . . . . 0 C--O 1.231 0.112 0 N-CA-C 109.083 -0.71 . . . . 0.0 109.083 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -42.85 -46.42 5.27 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.559 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 74.0 mt -61.53 -43.7 98.38 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 120.525 -0.47 . . . . 0.0 110.449 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 36.5 mmtm -63.94 -44.18 93.62 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.331 -0.548 . . . . 0.0 110.446 179.09 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 84.9 tt0 -68.36 -50.44 53.19 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.639 -0.424 . . . . 0.0 110.208 179.57 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -55.48 -48.02 75.22 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.24 -0.437 . . . . 0.0 109.976 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.424 ' CD1' ' C ' ' A' ' 89' ' ' PHE . 29.9 t80 -57.7 -42.34 83.51 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.28 -0.418 . . . . 0.0 109.932 179.547 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 14.3 tptm -61.51 -32.35 72.38 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.805 -179.669 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 77.7 t -68.71 -45.53 81.1 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.299 0 C-N-CA 120.69 -0.404 . . . . 0.0 110.681 179.237 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -66.92 -33.18 75.02 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.494 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 43.9 t0 -73.74 59.62 0.67 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.432 -179.441 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 56.1 mtpt -51.83 -45.64 64.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 109.865 -179.014 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -68.81 -10.25 55.71 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.975 0.417 . . . . 0.0 110.007 -179.495 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 52.54 28.21 5.8 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.506 -179.724 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 37.0 p-10 -86.72 5.25 37.17 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.315 -179.097 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 80.17 -3.92 69.47 Favored Glycine 0 CA--C 1.527 0.788 0 N-CA-C 111.462 -0.655 . . . . 0.0 111.462 179.402 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 38.6 m-85 -131.44 135.56 47.24 Favored 'General case' 0 N--CA 1.468 0.46 0 N-CA-C 110.424 -0.213 . . . . 0.0 110.424 -179.839 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 43.8 mt -84.77 128.9 38.53 Favored 'Isoleucine or valine' 0 C--O 1.237 0.397 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 178.589 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 36.4 t -98.21 159.33 15.01 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.616 -179.175 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -51.84 -41.39 61.78 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.504 -0.478 . . . . 0.0 109.726 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 70.2 m -56.75 -40.72 76.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.015 0.436 . . . . 0.0 110.384 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 92.0 mt-10 -71.84 -38.33 70.16 Favored 'General case' 0 N--CA 1.441 -0.881 0 CA-C-O 120.719 0.295 . . . . 0.0 110.868 179.19 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.571 HD13 ' O ' ' A' ' 105' ' ' LEU . 0.2 OUTLIER -60.34 -44.5 95.46 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 120.987 0.422 . . . . 0.0 110.38 -178.872 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 9.0 ptm180 -69.67 -39.67 76.86 Favored 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 120.312 -0.555 . . . . 0.0 109.84 179.368 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 14.2 t-80 -57.35 -42.76 82.6 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 109.665 -0.495 . . . . 0.0 109.665 179.81 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 57.2 t -65.43 -43.85 94.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.063 179.1 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 11.7 mmt -60.36 -41.98 94.82 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.539 -0.465 . . . . 0.0 110.311 -179.496 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 96.5 mt -65.07 -43.56 95.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.943 0.401 . . . . 0.0 109.99 179.238 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 22.9 t30 -59.95 -33.27 71.7 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.282 179.763 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -83.19 -1.83 53.98 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.063 179.73 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 86.47 20.16 55.11 Favored Glycine 0 N--CA 1.464 0.505 0 N-CA-C 111.109 -0.796 . . . . 0.0 111.109 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 -117.6 130.98 56.73 Favored 'General case' 0 N--CA 1.465 0.294 0 N-CA-C 109.754 -0.462 . . . . 0.0 109.754 179.508 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 8.9 ptmm? -136.38 116.29 13.2 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-O 120.989 0.423 . . . . 0.0 110.624 -179.627 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 1.6 mp -113.79 162.02 16.82 Favored 'General case' 0 N--CA 1.464 0.274 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 24.6 p -70.24 167.29 18.26 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.2 -0.6 . . . . 0.0 109.489 -179.758 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 91.4 m-20 -62.74 -38.93 92.48 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.615 -0.434 . . . . 0.0 110.447 -179.412 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 119' ' ' GLU . . . . . 0.451 ' OE1' ' N ' ' A' ' 119' ' ' GLU . 58.5 mp0 -63.87 -34.77 78.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.678 179.836 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 65.8 mt-10 -70.82 -47.25 60.46 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.292 179.014 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 87.7 t -64.33 -47.18 90.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 N-CA-C 109.987 -0.375 . . . . 0.0 109.987 179.656 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 80.8 tt0 -57.59 -37.2 72.82 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.784 -0.45 . . . . 0.0 109.784 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 57.2 tt0 -65.21 -42.23 93.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.243 179.432 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 80.2 mmm -65.88 -42.72 89.95 Favored 'General case' 0 N--CA 1.448 -0.571 0 CA-C-O 120.687 0.279 . . . . 0.0 110.722 179.837 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 36.9 mm -63.87 -45.26 97.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 179.804 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 38.4 mmtm -66.66 -42.64 86.3 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.366 -0.834 . . . . 0.0 110.864 179.549 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 80.4 tt0 -70.35 -36.41 74.18 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.839 -179.787 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -77.44 -29.18 52.77 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.349 -179.031 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 129' ' ' ASP . . . . . 0.437 ' OD1' ' OD1' ' A' ' 133' ' ' ASP . 41.5 t0 -71.35 105.44 3.51 Favored 'General case' 0 CA--C 1.507 -0.683 0 CA-C-O 121.322 0.582 . . . . 0.0 112.058 -179.121 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.536 ' H ' ' CD ' ' A' ' 140' ' ' GLU . 50.9 tp -87.35 -29.14 21.76 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 115.14 -0.936 . . . . 0.0 111.574 179.222 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 36.8 m-20 -79.6 -11.35 59.88 Favored 'General case' 0 N--CA 1.464 0.23 0 C-N-CA 120.887 -0.325 . . . . 0.0 111.668 -178.497 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 70.0 22.31 77.11 Favored Glycine 0 CA--C 1.529 0.933 0 C-N-CA 120.724 -0.751 . . . . 0.0 111.348 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 133' ' ' ASP . . . . . 0.509 ' O ' ' NE2' ' A' ' 135' ' ' GLN . 38.8 p-10 -89.46 -15.0 34.09 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-N 116.941 0.371 . . . . 0.0 110.555 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 89.37 5.6 72.19 Favored Glycine 0 N--CA 1.46 0.236 0 N-CA-C 110.144 -1.182 . . . . 0.0 110.144 179.402 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 135' ' ' GLN . . . . . 0.509 ' NE2' ' O ' ' A' ' 133' ' ' ASP . 3.2 mp0 -123.16 144.62 49.23 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-N 115.48 -0.36 . . . . 0.0 110.629 -178.76 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 49.0 t -92.16 109.99 22.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 N-CA-C 108.778 -0.823 . . . . 0.0 108.778 178.689 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 137' ' ' ASN . . . . . 0.449 ' CG ' ' H ' ' A' ' 138' ' ' TYR . 26.7 t-20 -93.67 175.62 6.67 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 109.975 -0.38 . . . . 0.0 109.975 179.564 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 138' ' ' TYR . . . . . 0.449 ' H ' ' CG ' ' A' ' 137' ' ' ASN . 76.2 t80 -53.81 -43.21 69.17 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.828 -178.824 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 80.0 tt0 -61.68 -46.59 89.07 Favored 'General case' 0 C--O 1.226 -0.182 0 C-N-CA 120.913 -0.315 . . . . 0.0 110.868 -179.399 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 140' ' ' GLU . . . . . 0.536 ' CD ' ' H ' ' A' ' 130' ' ' LEU . 65.3 mt-10 -70.63 -37.66 73.82 Favored 'General case' 0 C--N 1.321 -0.635 0 C-N-CA 119.825 -0.75 . . . . 0.0 109.873 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 50.6 t80 -63.79 -54.08 40.84 Favored 'General case' 0 C--O 1.232 0.14 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.601 179.711 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 142' ' ' VAL . . . . . 0.511 HG13 ' N ' ' A' ' 143' ' ' LYS . 7.0 p -61.01 -43.7 96.67 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.151 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 -179.132 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 143' ' ' LYS . . . . . 0.511 ' N ' HG13 ' A' ' 142' ' ' VAL . 66.5 tttm -60.47 -50.44 73.55 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.938 179.335 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 15.0 tmm? -62.87 -37.79 88.29 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.56 0.695 . . . . 0.0 109.567 179.174 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 43.1 tpp -64.59 -39.94 94.62 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 114.905 -1.043 . . . . 0.0 109.575 179.61 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 88.5 mtp -63.29 -35.15 79.41 Favored 'General case' 0 CA--C 1.52 -0.187 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 179.701 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 25.6 m . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.576 179.72 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 80.8 tt0 . . . . . 0 N--CA 1.457 -0.113 0 N-CA-C 108.688 -0.856 . . . . 0.0 108.688 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 83.1 tt0 -45.98 -46.77 16.55 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.063 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 66.7 mt -62.01 -44.68 96.2 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 120.313 -0.555 . . . . 0.0 110.478 179.338 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 89.0 tttt -65.03 -44.36 89.37 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.566 -0.454 . . . . 0.0 110.198 179.356 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 9.4 tm-20 -68.51 -52.6 30.41 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.533 -0.467 . . . . 0.0 110.242 179.645 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -52.18 -42.81 63.76 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.476 ' CD1' HD11 ' A' ' 100' ' ' ILE . 70.8 t80 -58.95 -43.55 91.26 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 109.897 -0.409 . . . . 0.0 109.897 179.094 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -60.4 -32.35 71.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.532 -0.304 . . . . 0.0 110.499 179.689 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 80.7 t -72.32 -41.88 65.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-O 120.897 0.38 . . . . 0.0 110.656 179.07 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -61.52 -35.1 76.77 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.848 -0.341 . . . . 0.0 110.359 -179.479 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.441 ' OD1' ' OD1' ' A' ' 97' ' ' ASN . 38.8 t0 -72.75 70.99 0.99 Allowed 'General case' 0 C--N 1.323 -0.545 0 C-N-CA 120.503 -0.479 . . . . 0.0 110.954 -178.946 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -51.45 -46.41 63.04 Favored 'General case' 0 C--N 1.332 -0.17 0 C-N-CA 120.463 -0.495 . . . . 0.0 109.707 -179.357 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' ASP . . . . . 0.429 ' OD2' ' OE2' ' A' ' 104' ' ' GLU . 3.7 m-20 -76.99 5.53 7.85 Favored 'General case' 0 CA--C 1.513 -0.462 0 N-CA-C 110.001 -0.37 . . . . 0.0 110.001 -179.833 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 12.4 pt20 37.99 32.31 0.04 OUTLIER 'General case' 0 CA--C 1.531 0.235 0 O-C-N 123.326 0.391 . . . . 0.0 110.815 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 97' ' ' ASN . . . . . 0.441 ' OD1' ' OD1' ' A' ' 93' ' ' ASP . 43.7 p-10 -83.9 -5.69 59.27 Favored 'General case' 0 C--N 1.331 -0.208 0 C-N-CA 120.806 -0.358 . . . . 0.0 111.01 -178.424 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 98' ' ' GLY . . . . . 0.4 ' N ' ' OD2' ' A' ' 93' ' ' ASP . . . 97.91 -7.43 62.81 Favored Glycine 0 CA--C 1.528 0.868 0 N-CA-C 111.342 -0.703 . . . . 0.0 111.342 179.809 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 76.4 m-85 -134.12 138.55 45.3 Favored 'General case' 0 N--CA 1.467 0.419 0 O-C-N 122.789 -0.242 . . . . 0.0 110.418 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.476 HD11 ' CD1' ' A' ' 89' ' ' PHE . 23.8 mt -85.54 128.83 38.82 Favored 'Isoleucine or valine' 0 C--O 1.241 0.613 0 N-CA-C 108.944 -0.761 . . . . 0.0 108.944 179.104 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 30.3 t -96.07 155.3 16.82 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.532 -179.391 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -53.11 -42.66 66.2 Favored 'General case' 0 C--N 1.331 -0.229 0 C-N-CA 120.385 -0.526 . . . . 0.0 109.949 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 103' ' ' SER . . . . . 0.403 ' HA ' ' HE ' ' A' ' 106' ' ' ARG . 51.0 m -59.27 -43.12 92.52 Favored 'General case' 0 C--N 1.332 -0.195 0 C-N-CA 120.768 -0.373 . . . . 0.0 110.424 179.711 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.429 ' OE2' ' OD2' ' A' ' 95' ' ' ASP . 89.3 mt-10 -62.81 -38.47 90.84 Favored 'General case' 0 N--CA 1.444 -0.748 0 C-N-CA 120.612 -0.435 . . . . 0.0 110.259 179.574 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.551 HD13 ' O ' ' A' ' 105' ' ' LEU . 0.2 OUTLIER -63.14 -41.55 99.32 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-O 121.259 0.552 . . . . 0.0 110.058 179.743 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 106' ' ' ARG . . . . . 0.403 ' HE ' ' HA ' ' A' ' 103' ' ' SER . 82.2 mtm180 -63.87 -47.92 78.77 Favored 'General case' 0 C--O 1.22 -0.487 0 C-N-CA 120.403 -0.519 . . . . 0.0 109.857 -179.756 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 46.2 t-80 -51.8 -38.87 57.4 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 179.74 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 69.7 t -63.86 -42.24 95.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 116.22 -0.446 . . . . 0.0 109.827 178.898 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 109' ' ' MET . . . . . 0.571 ' SD ' ' N ' ' A' ' 109' ' ' MET . 0.0 OUTLIER -59.47 -42.97 93.25 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.538 -0.465 . . . . 0.0 110.111 -179.876 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 13.1 mm -63.55 -47.05 93.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 N-CA-C 109.506 -0.554 . . . . 0.0 109.506 179.728 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 8.1 t-20 -58.84 -34.89 72.07 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.774 -0.454 . . . . 0.0 109.774 179.569 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 40.6 mt -77.18 -3.07 37.66 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.919 179.83 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 77.05 17.14 80.06 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 179.789 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -116.11 140.71 49.01 Favored 'General case' 0 N--CA 1.466 0.351 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.428 ' C ' HD12 ' A' ' 116' ' ' LEU . 15.9 pttm -131.31 106.66 8.43 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-O 120.884 0.374 . . . . 0.0 110.028 -179.739 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.577 ' N ' HD12 ' A' ' 116' ' ' LEU . 8.1 mp -95.61 165.95 12.08 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.7 -0.481 . . . . 0.0 109.7 179.798 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 4.2 p -70.34 152.98 43.53 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.253 -0.579 . . . . 0.0 109.552 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 93.5 m-20 -63.18 -41.71 99.26 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.515 -0.474 . . . . 0.0 110.521 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -65.03 -31.23 72.37 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.776 -0.37 . . . . 0.0 110.422 179.859 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 15.6 tp10 -69.57 -43.08 73.59 Favored 'General case' 0 N--CA 1.448 -0.552 0 C-N-CA 120.545 -0.462 . . . . 0.0 109.97 179.142 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 79.1 t -65.49 -45.03 93.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 C-N-CA 120.606 -0.438 . . . . 0.0 109.971 -179.734 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -60.38 -41.61 94.16 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.71 -0.396 . . . . 0.0 110.456 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 83.8 mt-30 -64.93 -41.69 95.32 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 120.671 -0.412 . . . . 0.0 110.685 179.19 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 34.5 ttm -64.64 -42.4 95.48 Favored 'General case' 0 N--CA 1.449 -0.506 0 C-N-CA 120.82 -0.352 . . . . 0.0 110.204 179.798 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 7.1 mm -63.87 -45.77 96.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 121.129 0.49 . . . . 0.0 109.832 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -65.5 -42.84 91.66 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.852 179.113 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 42.3 tp10 -70.27 -36.27 74.31 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.961 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -73.2 -31.08 63.97 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.296 -179.432 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 129' ' ' ASP . . . . . 0.446 ' OD1' ' OD1' ' A' ' 133' ' ' ASP . 33.8 t0 -69.03 107.83 3.3 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.22 0.533 . . . . 0.0 111.748 -179.126 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.515 ' H ' ' CD ' ' A' ' 140' ' ' GLU . 39.5 tp -87.91 -31.74 19.29 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.589 179.806 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 39.4 m-20 -77.29 -11.51 59.84 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.925 -0.31 . . . . 0.0 111.672 -178.528 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 69.06 30.46 72.06 Favored Glycine 0 CA--C 1.526 0.764 0 C-N-CA 120.407 -0.901 . . . . 0.0 111.358 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 133' ' ' ASP . . . . . 0.446 ' OD1' ' OD1' ' A' ' 129' ' ' ASP . 37.9 p-10 -100.43 -13.38 18.75 Favored 'General case' 0 N--CA 1.467 0.425 0 CA-C-N 117.115 0.457 . . . . 0.0 110.537 179.79 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 90.08 -2.22 81.29 Favored Glycine 0 N--CA 1.459 0.227 0 N-CA-C 110.205 -1.158 . . . . 0.0 110.205 179.68 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 13.6 mt-30 -113.54 138.12 50.6 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.694 0.283 . . . . 0.0 110.58 -178.867 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 37.4 t -82.67 113.85 22.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 N-CA-C 108.256 -1.016 . . . . 0.0 108.256 178.38 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 137' ' ' ASN . . . . . 0.416 ' CG ' ' N ' ' A' ' 138' ' ' TYR . 22.7 t-20 -97.02 172.47 7.83 Favored 'General case' 0 N--CA 1.469 0.493 0 N-CA-C 110.116 -0.327 . . . . 0.0 110.116 179.671 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 138' ' ' TYR . . . . . 0.416 ' N ' ' CG ' ' A' ' 137' ' ' ASN . 88.0 t80 -49.89 -48.65 51.31 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 120.674 -0.41 . . . . 0.0 111.086 -178.686 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 80.7 tt0 -59.28 -45.25 91.73 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.784 -0.366 . . . . 0.0 111.135 -179.738 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 140' ' ' GLU . . . . . 0.515 ' CD ' ' H ' ' A' ' 130' ' ' LEU . 69.4 mt-10 -68.92 -40.54 78.99 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 120.22 -0.592 . . . . 0.0 110.092 179.622 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 74.7 t80 -60.56 -49.06 79.06 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.136 -0.69 . . . . 0.0 109.136 179.317 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 44.6 t -60.79 -47.28 93.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 179.175 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 65.2 tttm -61.18 -46.68 89.49 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.893 179.752 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 51.9 ttp -62.68 -40.39 96.94 Favored 'General case' 0 CA--C 1.513 -0.474 0 CA-C-O 121.572 0.701 . . . . 0.0 109.31 178.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 37.3 tpp -65.02 -36.42 84.34 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.135 -0.939 . . . . 0.0 109.987 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 70.5 mtp -63.52 -40.0 95.91 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.985 -0.376 . . . . 0.0 109.985 179.422 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 27.0 m . . . . . 0 C--N 1.33 -0.24 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.519 -179.987 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 . . . . . 0 N--CA 1.456 -0.157 0 N-CA-C 109.054 -0.721 . . . . 0.0 109.054 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -46.7 -43.56 17.97 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.645 -0.422 . . . . 0.0 110.487 -179.124 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.647 ' O ' HD23 ' A' ' 85' ' ' LEU . 1.9 tt -61.48 -44.81 96.43 Favored 'General case' 0 C--N 1.333 -0.134 0 C-N-CA 120.294 -0.562 . . . . 0.0 110.557 179.715 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 34.2 ttmt -60.66 -37.13 80.54 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.345 -0.542 . . . . 0.0 110.532 179.107 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 9.0 tm-20 -68.64 -50.78 48.59 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-O 121.084 0.469 . . . . 0.0 110.265 179.57 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -52.89 -46.77 68.12 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-O 121.332 0.587 . . . . 0.0 110.128 179.572 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 46.4 t80 -56.18 -42.46 77.12 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.203 -0.453 . . . . 0.0 109.999 178.638 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.419 ' HG3' HE22 ' A' ' 96' ' ' GLN . 3.4 ttmp? -60.98 -32.07 71.64 Favored 'General case' 0 CA--C 1.53 0.187 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.478 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 91.1 t -70.18 -46.32 72.57 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.201 0 C-N-CA 120.579 -0.448 . . . . 0.0 110.484 179.848 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.402 ' O ' ' N ' ' A' ' 94' ' ' LYS . 2.7 m-85 -65.5 -34.07 77.4 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.447 -0.501 . . . . 0.0 110.311 -179.745 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 32.9 t0 -69.61 59.24 0.14 Allowed 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.44 -0.504 . . . . 0.0 111.032 -179.625 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.402 ' N ' ' O ' ' A' ' 92' ' ' PHE . 29.1 ttpt -50.6 -47.61 58.08 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.356 -0.538 . . . . 0.0 110.084 -179.136 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 95' ' ' ASP . . . . . 0.43 ' OD2' ' OE2' ' A' ' 104' ' ' GLU . 4.3 m-20 -69.1 -8.62 46.98 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.159 0.504 . . . . 0.0 110.092 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 96' ' ' GLN . . . . . 0.419 HE22 ' HG3' ' A' ' 90' ' ' LYS . 42.3 tp60 50.26 33.08 6.85 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.133 0.492 . . . . 0.0 110.088 -179.571 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 35.8 p-10 -93.57 8.61 40.1 Favored 'General case' 0 C--N 1.329 -0.312 0 O-C-N 121.949 -0.469 . . . . 0.0 111.307 -179.062 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 81.01 -7.93 58.57 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 111.293 -0.723 . . . . 0.0 111.293 179.684 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 39.8 m-85 -128.5 134.1 48.61 Favored 'General case' 0 N--CA 1.47 0.532 0 O-C-N 122.741 -0.27 . . . . 0.0 110.302 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 42.8 mt -83.92 125.72 40.19 Favored 'Isoleucine or valine' 0 C--O 1.235 0.31 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 178.765 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 20.0 t -86.23 155.9 20.51 Favored 'General case' 0 N--CA 1.471 0.619 0 CA-C-N 116.596 -0.275 . . . . 0.0 110.456 -179.123 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -52.93 -43.37 66.21 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.212 -0.595 . . . . 0.0 110.121 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 103' ' ' SER . . . . . 0.466 ' O ' ' CE1' ' A' ' 107' ' ' HIS . 49.7 m -58.88 -38.49 78.94 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-O 120.982 0.42 . . . . 0.0 110.446 179.388 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.43 ' OE2' ' OD2' ' A' ' 95' ' ' ASP . 93.3 mt-10 -69.14 -38.85 79.03 Favored 'General case' 0 N--CA 1.444 -0.763 0 C-N-CA 120.5 -0.48 . . . . 0.0 110.173 -179.856 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 27.6 tp -62.54 -42.73 99.72 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-O 121.358 0.599 . . . . 0.0 110.283 179.177 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 85.5 mtp180 -57.59 -46.37 84.11 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.356 -0.538 . . . . 0.0 110.28 178.861 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 107' ' ' HIS . . . . . 0.466 ' CE1' ' O ' ' A' ' 103' ' ' SER . 21.8 m170 -56.34 -41.01 75.39 Favored 'General case' 0 N--CA 1.456 -0.135 0 N-CA-C 109.673 -0.492 . . . . 0.0 109.673 179.608 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 82.5 t -61.78 -47.57 92.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.188 179.3 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 109' ' ' MET . . . . . 0.519 ' SD ' ' N ' ' A' ' 109' ' ' MET . 0.0 OUTLIER -58.9 -43.93 91.14 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.469 -0.492 . . . . 0.0 110.121 -179.884 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.606 HG23 ' NZ ' ' A' ' 115' ' ' LYS . 92.6 mt -62.65 -42.76 97.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 C-N-CA 120.436 -0.506 . . . . 0.0 109.993 179.061 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 111' ' ' ASN . . . . . 0.4 ' OD1' ' C ' ' A' ' 111' ' ' ASN . 19.3 t-20 -64.04 -36.93 85.61 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.092 0.472 . . . . 0.0 109.94 -179.608 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -69.15 -5.51 22.91 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.04 179.846 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 85.02 15.88 66.29 Favored Glycine 0 CA--C 1.526 0.745 0 N-CA-C 110.926 -0.869 . . . . 0.0 110.926 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 19.3 pt-20 -122.16 139.22 54.01 Favored 'General case' 0 N--CA 1.467 0.42 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 179.71 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.606 ' NZ ' HG23 ' A' ' 110' ' ' ILE . 10.8 mttp -130.72 113.8 14.58 Favored 'General case' 0 N--CA 1.467 0.408 0 N-CA-C 109.961 -0.385 . . . . 0.0 109.961 -179.662 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 45.0 mt -108.22 154.99 20.96 Favored 'General case' 0 N--CA 1.464 0.271 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 179.798 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 60.7 p -67.82 165.11 18.17 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.044 -0.662 . . . . 0.0 109.572 -179.515 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -62.38 -39.84 94.51 Favored 'General case' 0 C--N 1.332 -0.164 0 C-N-CA 120.32 -0.552 . . . . 0.0 110.799 -179.791 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -57.29 -36.52 71.15 Favored 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 120.718 -0.393 . . . . 0.0 110.603 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -71.6 -47.79 52.41 Favored 'General case' 0 N--CA 1.448 -0.565 0 C-N-CA 120.611 -0.436 . . . . 0.0 110.202 179.329 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 73.3 t -63.48 -47.11 93.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 C-N-CA 120.628 -0.429 . . . . 0.0 110.054 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 79.2 mt-10 -62.72 -39.54 94.38 Favored 'General case' 0 C--N 1.332 -0.189 0 C-N-CA 120.581 -0.447 . . . . 0.0 110.321 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 69.6 tp60 -70.34 -38.64 74.9 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 120.604 -0.438 . . . . 0.0 110.607 179.121 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 41.0 tpp -65.07 -41.93 94.61 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-O 120.949 0.404 . . . . 0.0 110.22 -179.109 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 125' ' ' ILE . . . . . 0.5 ' O ' ' N ' ' A' ' 129' ' ' ASP . 58.1 mt -64.82 -46.21 92.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-O 121.189 0.519 . . . . 0.0 109.93 179.774 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -63.42 -42.57 98.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.522 179.394 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 33.2 tp10 -70.34 -33.01 70.96 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.12 0.486 . . . . 0.0 110.972 178.681 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -85.64 -29.37 24.1 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.791 -179.314 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 129' ' ' ASP . . . . . 0.5 ' N ' ' O ' ' A' ' 125' ' ' ILE . 35.4 t0 -61.98 93.69 0.05 OUTLIER 'General case' 0 CA--C 1.516 -0.35 0 C-N-CA 120.369 -0.533 . . . . 0.0 111.369 -179.079 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 3.8 tt -72.66 -36.3 67.91 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.443 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 131' ' ' ASP . . . . . 0.461 ' OD2' ' OE2' ' A' ' 140' ' ' GLU . 27.5 m-20 -76.21 -9.6 58.75 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 120.806 -0.358 . . . . 0.0 111.435 -178.475 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 65.73 30.52 77.46 Favored Glycine 0 CA--C 1.531 1.081 0 C-N-CA 120.185 -1.007 . . . . 0.0 111.374 -179.869 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 133' ' ' ASP . . . . . 0.468 ' N ' ' OD2' ' A' ' 129' ' ' ASP . 26.7 p-10 -99.61 -10.87 21.49 Favored 'General case' 0 C--N 1.337 0.065 0 O-C-N 122.316 -0.52 . . . . 0.0 110.379 179.679 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 84.37 2.89 88.96 Favored Glycine 0 C--N 1.331 0.28 0 N-CA-C 110.363 -1.095 . . . . 0.0 110.363 179.824 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 10.4 mt-30 -114.34 141.96 46.95 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-O 120.715 0.293 . . . . 0.0 110.571 -179.057 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 11.0 t -90.88 100.64 11.46 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.228 0 N-CA-C 108.429 -0.952 . . . . 0.0 108.429 178.757 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 137' ' ' ASN . . . . . 0.615 ' H ' ' CG ' ' A' ' 140' ' ' GLU . 61.2 t30 -97.98 -174.46 2.87 Favored 'General case' 0 N--CA 1.467 0.381 0 N-CA-C 110.06 -0.348 . . . . 0.0 110.06 -178.756 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 138' ' ' TYR . . . . . 0.517 ' CE2' HG21 ' A' ' 142' ' ' VAL . 43.7 t80 -54.71 -47.02 74.24 Favored 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 120.515 -0.474 . . . . 0.0 111.356 -178.804 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -60.7 -52.1 66.54 Favored 'General case' 0 CA--C 1.519 -0.233 0 C-N-CA 120.603 -0.439 . . . . 0.0 111.55 -177.489 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 140' ' ' GLU . . . . . 0.615 ' CG ' ' H ' ' A' ' 137' ' ' ASN . 0.5 OUTLIER -66.92 -38.69 86.67 Favored 'General case' 0 C--N 1.312 -1.055 0 C-N-CA 120.348 -0.541 . . . . 0.0 110.108 -179.843 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 141' ' ' PHE . . . . . 0.455 ' O ' ' N ' ' A' ' 145' ' ' MET . 42.0 t80 -62.02 -50.52 71.7 Favored 'General case' 0 C--N 1.334 -0.102 0 N-CA-C 109.036 -0.727 . . . . 0.0 109.036 -179.703 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 142' ' ' VAL . . . . . 0.517 HG21 ' CE2' ' A' ' 138' ' ' TYR . 24.6 t -60.25 -46.5 94.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 -179.422 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 63.8 tttp -61.83 -49.69 75.29 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.83 -0.623 . . . . 0.0 109.838 179.181 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 48.7 ttp -63.96 -40.4 96.34 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.567 0.699 . . . . 0.0 109.289 179.122 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 145' ' ' MET . . . . . 0.455 ' N ' ' O ' ' A' ' 141' ' ' PHE . 29.0 ttm -62.13 -39.32 92.15 Favored 'General case' 0 N--CA 1.442 -0.835 0 CA-C-N 115.198 -0.91 . . . . 0.0 109.706 -179.109 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 78.7 mtp -66.99 -39.81 87.24 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 120.642 -0.423 . . . . 0.0 110.1 179.856 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 98.9 m . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.483 -179.592 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 71.7 mm-40 . . . . . 0 N--CA 1.456 -0.169 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 65.8 mm-40 -45.46 -46.33 13.57 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.686 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.402 HD23 ' O ' ' A' ' 85' ' ' LEU . 0.9 OUTLIER -63.04 -43.03 99.8 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.303 -0.559 . . . . 0.0 109.963 -179.624 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -62.56 -39.15 92.74 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.416 -0.514 . . . . 0.0 109.973 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 81.0 tt0 -69.63 -50.21 46.39 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.612 -0.435 . . . . 0.0 110.325 179.567 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -54.85 -46.87 74.72 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 120.602 -0.439 . . . . 0.0 110.007 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.418 ' CD1' ' C ' ' A' ' 89' ' ' PHE . 27.6 t80 -56.33 -44.27 79.82 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.861 -0.422 . . . . 0.0 109.861 179.606 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 17.3 mmmt -61.84 -30.7 71.02 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.028 179.592 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 70.8 t -71.35 -46.16 66.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 C-N-CA 120.603 -0.439 . . . . 0.0 111.018 179.37 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -66.36 -33.35 75.52 Favored 'General case' 0 CA--C 1.513 -0.479 0 C-N-CA 120.723 -0.391 . . . . 0.0 110.724 -179.701 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.592 ' O ' ' N ' ' A' ' 96' ' ' GLN . 33.8 t0 -81.52 55.81 2.76 Favored 'General case' 0 C--N 1.321 -0.631 0 C-N-CA 120.699 -0.4 . . . . 0.0 111.629 -179.253 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -43.06 -36.26 1.56 Allowed 'General case' 0 CA--C 1.53 0.2 0 C-N-CA 120.584 -0.446 . . . . 0.0 110.084 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 95' ' ' ASP . . . . . 0.422 ' OD1' ' O ' ' A' ' 95' ' ' ASP . 43.4 t0 -68.59 -19.25 64.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.525 179.738 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 96' ' ' GLN . . . . . 0.592 ' N ' ' O ' ' A' ' 93' ' ' ASP . 87.0 mt-30 54.27 33.03 17.34 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.654 179.862 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 32.0 p30 -92.32 6.6 46.24 Favored 'General case' 0 N--CA 1.464 0.227 0 C-N-CA 121.052 -0.259 . . . . 0.0 111.111 -179.54 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 81.88 -3.89 77.63 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 111.459 -0.656 . . . . 0.0 111.459 179.58 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.552 ' CE2' ' ND2' ' A' ' 137' ' ' ASN . 40.3 m-85 -133.77 137.11 44.97 Favored 'General case' 0 N--CA 1.467 0.412 0 O-C-N 122.746 -0.267 . . . . 0.0 110.355 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 54.2 mt -87.52 126.84 41.16 Favored 'Isoleucine or valine' 0 C--O 1.235 0.291 0 N-CA-C 108.745 -0.835 . . . . 0.0 108.745 178.937 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 30.3 m -94.33 163.1 13.57 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.77 -179.026 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -52.91 -43.88 66.56 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.415 -0.514 . . . . 0.0 109.745 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 103' ' ' SER . . . . . 0.403 ' HA ' ' HE ' ' A' ' 106' ' ' ARG . 66.0 m -58.12 -38.51 76.65 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 120.87 -0.332 . . . . 0.0 110.363 179.61 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -76.2 -40.22 52.84 Favored 'General case' 0 N--CA 1.441 -0.916 0 C-N-CA 120.784 -0.367 . . . . 0.0 110.131 179.065 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.575 HD13 ' O ' ' A' ' 105' ' ' LEU . 0.3 OUTLIER -61.42 -47.18 86.93 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-O 121.222 0.534 . . . . 0.0 110.378 -179.453 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 106' ' ' ARG . . . . . 0.416 ' HG3' ' N ' ' A' ' 107' ' ' HIS . 50.4 ptt85 -64.16 -42.96 96.51 Favored 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 120.487 -0.485 . . . . 0.0 109.86 179.812 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 107' ' ' HIS . . . . . 0.416 ' N ' ' HG3' ' A' ' 106' ' ' ARG . 45.3 t60 -53.06 -40.65 64.17 Favored 'General case' 0 CA--C 1.521 -0.155 0 N-CA-C 109.557 -0.534 . . . . 0.0 109.557 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 53.2 t -65.11 -40.39 88.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.028 178.72 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 21.7 mmt -61.84 -44.91 95.89 Favored 'General case' 0 C--N 1.332 -0.156 0 C-N-CA 120.41 -0.516 . . . . 0.0 110.337 -179.39 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 2.1 mp -64.22 -44.61 97.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 C-N-CA 120.359 -0.537 . . . . 0.0 109.905 179.283 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -61.8 -34.6 76.2 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.662 -0.496 . . . . 0.0 109.662 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 43.9 mt -76.43 -4.64 43.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.057 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 82.8 17.29 68.22 Favored Glycine 0 CA--C 1.525 0.71 0 N-CA-C 110.706 -0.957 . . . . 0.0 110.706 179.827 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -115.94 133.83 55.61 Favored 'General case' 0 N--CA 1.466 0.345 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 179.682 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.443 ' C ' HD22 ' A' ' 116' ' ' LEU . 12.7 ptpt -132.65 110.29 10.32 Favored 'General case' 0 N--CA 1.47 0.56 0 N-CA-C 110.205 -0.294 . . . . 0.0 110.205 -179.856 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.884 HD22 ' N ' ' A' ' 116' ' ' LEU . 0.9 OUTLIER -108.02 162.38 14.09 Favored 'General case' 0 N--CA 1.468 0.436 0 N-CA-C 109.63 -0.507 . . . . 0.0 109.63 -179.962 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 14.6 p -71.89 163.36 27.97 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -62.29 -38.76 90.6 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.549 -0.461 . . . . 0.0 110.405 -179.647 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -60.99 -33.35 73.11 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 120.77 -0.372 . . . . 0.0 110.702 179.835 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 72.7 mm-40 -73.28 -49.1 29.5 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.567 -0.453 . . . . 0.0 110.477 179.002 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 86.3 t -61.93 -47.81 91.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 C-N-CA 120.587 -0.445 . . . . 0.0 110.076 179.866 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -60.5 -39.31 87.26 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 120.797 -0.361 . . . . 0.0 110.178 179.678 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 69.9 mm-40 -68.68 -41.48 79.18 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.65 -0.42 . . . . 0.0 110.681 179.237 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 59.1 mtt -65.3 -43.14 92.04 Favored 'General case' 0 N--CA 1.445 -0.691 0 C-N-CA 120.709 -0.396 . . . . 0.0 110.769 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 125' ' ' ILE . . . . . 0.401 HG23 HG23 ' A' ' 136' ' ' VAL . 59.1 mt -64.92 -45.88 93.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 121.309 0.576 . . . . 0.0 109.77 178.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 27.2 mmtp -64.12 -41.68 97.15 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.659 -0.701 . . . . 0.0 110.64 179.524 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 81.3 tt0 -71.84 -33.62 68.61 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.698 179.616 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -83.17 -28.32 29.43 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.859 -179.467 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 129' ' ' ASP . . . . . 0.435 ' OD1' ' OD1' ' A' ' 133' ' ' ASP . 26.7 t70 -71.5 112.05 7.31 Favored 'General case' 0 CA--C 1.511 -0.55 0 CA-C-O 121.17 0.509 . . . . 0.0 111.789 -179.211 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 8.2 tp -88.8 -24.33 22.63 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.756 -0.657 . . . . 0.0 111.613 179.544 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 131' ' ' ASP . . . . . 0.438 ' C ' ' H ' ' A' ' 133' ' ' ASP . 50.2 m-20 -82.71 -4.68 58.2 Favored 'General case' 0 C--N 1.331 -0.2 0 C-N-CA 120.979 -0.289 . . . . 0.0 111.756 -178.57 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 67.29 -7.05 1.99 Allowed Glycine 0 CA--C 1.527 0.792 0 C-N-CA 120.421 -0.895 . . . . 0.0 111.386 179.825 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 133' ' ' ASP . . . . . 0.461 ' OD1' ' N ' ' A' ' 133' ' ' ASP . 30.2 p-10 -65.48 -13.35 58.64 Favored 'General case' 0 C--N 1.333 -0.115 0 C-N-CA 120.645 -0.422 . . . . 0.0 110.157 -179.543 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 80.57 12.39 82.99 Favored Glycine 0 C--N 1.329 0.147 0 N-CA-C 110.513 -1.035 . . . . 0.0 110.513 179.561 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 9.7 mt-30 -112.02 142.69 44.13 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.768 0.318 . . . . 0.0 110.459 -178.845 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 136' ' ' VAL . . . . . 0.401 HG23 HG23 ' A' ' 125' ' ' ILE . 98.6 t -90.2 105.06 15.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 178.456 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 137' ' ' ASN . . . . . 0.552 ' ND2' ' CE2' ' A' ' 99' ' ' TYR . 19.9 t-20 -96.84 172.41 7.89 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-O 120.729 0.299 . . . . 0.0 110.233 -179.862 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 30.3 t80 -53.37 -44.52 68.65 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.758 -0.377 . . . . 0.0 110.879 -178.768 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 12.7 tm-20 -60.58 -45.91 92.19 Favored 'General case' 0 C--O 1.223 -0.319 0 C-N-CA 120.815 -0.354 . . . . 0.0 110.946 -179.342 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -71.61 -37.73 70.91 Favored 'General case' 0 C--N 1.317 -0.845 0 C-N-CA 119.936 -0.706 . . . . 0.0 109.882 179.322 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 55.0 t80 -62.69 -54.31 41.18 Favored 'General case' 0 N--CA 1.453 -0.324 0 C-N-CA 120.084 -0.646 . . . . 0.0 110.294 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 142' ' ' VAL . . . . . 0.532 HG13 ' N ' ' A' ' 143' ' ' LYS . 7.5 p -59.91 -43.94 93.31 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.278 0 CA-C-O 121.357 0.598 . . . . 0.0 109.642 -179.41 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 143' ' ' LYS . . . . . 0.532 ' N ' HG13 ' A' ' 142' ' ' VAL . 20.1 tptm -63.03 -49.27 75.26 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.072 179.872 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 14.2 tmm? -64.52 -37.71 88.49 Favored 'General case' 0 CA--C 1.51 -0.564 0 CA-C-O 121.646 0.736 . . . . 0.0 109.184 178.814 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 35.9 tpp -60.47 -35.3 75.56 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 114.898 -1.046 . . . . 0.0 109.268 -179.785 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 54.1 mmm -74.68 -44.49 49.93 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 120.949 -0.301 . . . . 0.0 110.279 179.104 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 25.3 m . . . . . 0 C--N 1.331 -0.228 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.67 -179.279 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 . . . . . 0 N--CA 1.491 1.581 0 N-CA-C 110.058 -0.349 . . . . 0.0 110.058 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -52.24 -47.83 65.51 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.386 -0.526 . . . . 0.0 109.841 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 39.1 tp10 -63.77 -29.73 70.9 Favored 'General case' 0 N--CA 1.449 -0.487 0 C-N-CA 120.895 -0.322 . . . . 0.0 110.398 -179.743 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 33.0 tp10 -71.32 -67.52 0.51 Allowed 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 178.662 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 50.6 tp10 -46.88 -44.87 19.98 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.694 -0.402 . . . . 0.0 110.269 -179.817 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 78.7 mt -63.34 -44.39 95.0 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 120.379 -0.528 . . . . 0.0 110.514 179.656 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -63.69 -40.57 97.14 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.63 -0.428 . . . . 0.0 110.313 179.348 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -61.82 -57.42 11.92 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 120.557 -0.457 . . . . 0.0 110.227 179.822 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -51.86 -44.31 63.61 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.517 -0.473 . . . . 0.0 109.823 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 40.7 t80 -56.94 -43.45 81.54 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 110.028 -0.36 . . . . 0.0 110.028 179.215 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 21.3 tptm -60.99 -32.8 72.36 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.649 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 95.7 t -69.86 -46.74 72.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 C-N-CA 120.62 -0.432 . . . . 0.0 110.725 179.542 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -64.98 -34.12 77.68 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.629 -0.428 . . . . 0.0 110.39 179.809 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.473 ' O ' ' N ' ' A' ' 96' ' ' GLN . 30.1 t0 -71.62 59.73 0.32 Allowed 'General case' 0 C--N 1.323 -0.583 0 C-N-CA 120.625 -0.43 . . . . 0.0 110.674 -179.379 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 64.6 tttm -48.16 -45.93 33.96 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.48 -0.488 . . . . 0.0 110.023 -179.229 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' ASP . . . . . 0.436 ' OD2' ' OE2' ' A' ' 104' ' ' GLU . 5.4 m-20 -72.16 -8.89 57.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.938 0.399 . . . . 0.0 110.199 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' GLN . . . . . 0.473 ' N ' ' O ' ' A' ' 93' ' ' ASP . 37.7 tt0 52.08 32.37 10.26 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.005 -179.668 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' ASN . . . . . 0.435 ' OD1' ' O ' ' A' ' 99' ' ' TYR . 46.7 p-10 -89.37 8.67 29.47 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 120.817 -0.353 . . . . 0.0 111.194 -179.104 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' GLY . . . . . 0.456 ' N ' ' OD2' ' A' ' 93' ' ' ASP . . . 79.15 -6.65 56.01 Favored Glycine 0 CA--C 1.526 0.723 0 N-CA-C 111.468 -0.653 . . . . 0.0 111.468 179.435 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.435 ' O ' ' OD1' ' A' ' 97' ' ' ASN . 34.9 m-85 -130.27 134.61 47.35 Favored 'General case' 0 N--CA 1.467 0.408 0 N-CA-C 110.234 -0.284 . . . . 0.0 110.234 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.407 HG21 HD13 ' A' ' 100' ' ' ILE . 16.0 mt -84.16 128.2 39.09 Favored 'Isoleucine or valine' 0 C--O 1.236 0.373 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 179.027 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 5.3 p -94.01 156.86 16.38 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.554 -179.28 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -52.88 -42.61 65.46 Favored 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 120.381 -0.528 . . . . 0.0 110.047 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' SER . . . . . 0.45 ' HA ' ' HE ' ' A' ' 106' ' ' ARG . 50.5 m -59.77 -41.58 91.39 Favored 'General case' 0 C--N 1.331 -0.207 0 C-N-CA 120.772 -0.371 . . . . 0.0 110.669 179.516 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.436 ' OE2' ' OD2' ' A' ' 95' ' ' ASP . 87.8 mt-10 -64.07 -38.96 92.97 Favored 'General case' 0 N--CA 1.443 -0.808 0 C-N-CA 120.67 -0.412 . . . . 0.0 110.354 179.545 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.417 HD23 HD11 ' A' ' 125' ' ' ILE . 26.2 tp -63.97 -43.87 94.45 Favored 'General case' 0 CA--C 1.53 0.191 0 CA-C-O 121.042 0.449 . . . . 0.0 110.214 179.205 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.45 ' HE ' ' HA ' ' A' ' 103' ' ' SER . 84.8 mtm180 -59.23 -49.94 75.92 Favored 'General case' 0 C--O 1.218 -0.581 0 C-N-CA 120.344 -0.542 . . . . 0.0 110.347 -179.691 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 11.8 t-80 -53.68 -40.45 65.96 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 120.696 -0.402 . . . . 0.0 110.065 179.429 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 77.7 t -63.49 -43.54 98.4 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 N-CA-C 109.89 -0.411 . . . . 0.0 109.89 179.144 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 14.5 mmt -57.33 -41.46 80.01 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.483 -0.487 . . . . 0.0 109.973 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.403 HG12 ' O ' ' A' ' 106' ' ' ARG . 11.5 mm -65.29 -42.98 95.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 C-N-CA 120.648 -0.421 . . . . 0.0 109.875 179.218 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 15.1 t30 -59.52 -36.82 76.83 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.152 179.594 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 9.0 mp -77.01 -4.22 43.07 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.927 179.566 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 78.83 19.75 72.34 Favored Glycine 0 CA--C 1.526 0.738 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -117.68 138.54 51.92 Favored 'General case' 0 N--CA 1.466 0.348 0 N-CA-C 109.748 -0.464 . . . . 0.0 109.748 179.59 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -137.44 112.64 9.17 Favored 'General case' 0 N--CA 1.468 0.461 0 N-CA-C 110.192 -0.299 . . . . 0.0 110.192 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 48.5 mt -102.65 163.16 12.38 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 109.646 -0.501 . . . . 0.0 109.646 179.735 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 1.2 m -68.54 162.14 26.37 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.126 -0.63 . . . . 0.0 109.632 -179.755 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 91.0 m-20 -60.3 -38.62 84.2 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.376 -0.53 . . . . 0.0 110.23 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -65.6 -31.89 73.17 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.754 -0.378 . . . . 0.0 110.497 179.325 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 120' ' ' GLU . . . . . 0.546 ' OE1' ' N ' ' A' ' 120' ' ' GLU . 0.2 OUTLIER -70.51 -49.29 49.82 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.471 -0.492 . . . . 0.0 110.259 179.26 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 85.7 t -63.54 -47.29 92.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 C-N-CA 120.521 -0.472 . . . . 0.0 110.216 179.735 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 44.2 tp10 -56.54 -39.05 72.74 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.796 -0.362 . . . . 0.0 110.41 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 81.8 mt-30 -67.24 -37.95 84.39 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 120.703 -0.399 . . . . 0.0 110.737 179.015 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 39.2 ttm -63.12 -44.18 96.34 Favored 'General case' 0 N--CA 1.45 -0.461 0 C-N-CA 120.78 -0.368 . . . . 0.0 110.417 -179.651 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 125' ' ' ILE . . . . . 0.417 HD11 HD23 ' A' ' 105' ' ' LEU . 48.1 mm -61.54 -48.72 87.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 C-N-CA 120.585 -0.446 . . . . 0.0 110.048 179.189 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 48.7 mtmt -64.52 -44.94 89.29 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.239 179.548 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 81.2 tt0 -66.49 -38.43 87.24 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.14 -179.767 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -75.87 -29.9 58.69 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.441 -179.069 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 129' ' ' ASP . . . . . 0.545 ' OD2' ' N ' ' A' ' 133' ' ' ASP . 33.1 t0 -75.81 115.21 15.28 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.186 0.517 . . . . 0.0 111.897 -178.834 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 53.7 tp -85.32 -27.27 26.03 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.379 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 131' ' ' ASP . . . . . 0.455 ' OD1' ' OD1' ' A' ' 129' ' ' ASP . 44.1 p30 -100.29 12.26 37.51 Favored 'General case' 0 N--CA 1.465 0.275 0 C-N-CA 121.156 -0.217 . . . . 0.0 111.378 -178.784 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 44.94 26.22 1.14 Allowed Glycine 0 CA--C 1.529 0.957 0 C-N-CA 120.361 -0.923 . . . . 0.0 111.345 179.674 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 133' ' ' ASP . . . . . 0.545 ' N ' ' OD2' ' A' ' 129' ' ' ASP . 19.0 p-10 -72.03 -16.65 62.05 Favored 'General case' 0 N--CA 1.462 0.155 0 C-N-CA 120.713 -0.395 . . . . 0.0 110.472 179.593 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 94.0 -10.59 71.83 Favored Glycine 0 C--O 1.229 -0.21 0 N-CA-C 110.382 -1.087 . . . . 0.0 110.382 179.643 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 22.7 mt-30 -117.69 138.88 51.7 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-O 120.676 0.274 . . . . 0.0 110.682 -178.847 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 75.3 t -81.86 116.2 25.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 N-CA-C 108.538 -0.912 . . . . 0.0 108.538 178.639 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 18.1 t-20 -93.02 165.43 12.86 Favored 'General case' 0 N--CA 1.469 0.504 0 N-CA-C 109.943 -0.391 . . . . 0.0 109.943 179.653 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 85.1 t80 -49.52 -48.75 47.93 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.532 -0.467 . . . . 0.0 111.017 -178.767 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 139' ' ' GLU . . . . . 0.436 ' CG ' ' N ' ' A' ' 140' ' ' GLU . 6.5 pt-20 -58.01 -41.48 83.17 Favored 'General case' 0 C--O 1.225 -0.223 0 CA-C-O 121.026 0.441 . . . . 0.0 110.972 -179.229 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 140' ' ' GLU . . . . . 0.436 ' N ' ' CG ' ' A' ' 139' ' ' GLU . 82.8 mt-10 -70.13 -39.23 75.54 Favored 'General case' 0 C--N 1.321 -0.636 0 C-N-CA 120.052 -0.659 . . . . 0.0 109.82 179.736 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 58.6 t80 -62.78 -55.79 23.37 Favored 'General case' 0 N--CA 1.452 -0.335 0 C-N-CA 120.184 -0.606 . . . . 0.0 110.354 -179.646 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 142' ' ' VAL . . . . . 0.51 HG13 ' N ' ' A' ' 143' ' ' LYS . 14.8 p -57.59 -43.32 83.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 -179.755 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 143' ' ' LYS . . . . . 0.51 ' N ' HG13 ' A' ' 142' ' ' VAL . 55.7 tttp -60.79 -49.51 77.18 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.889 -0.596 . . . . 0.0 109.794 179.109 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 56.8 ttp -62.24 -39.07 91.64 Favored 'General case' 0 CA--C 1.514 -0.406 0 CA-C-O 121.439 0.638 . . . . 0.0 109.333 178.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 145' ' ' MET . . . . . 0.431 ' O ' ' N ' ' A' ' 149' ' ' ARG . 39.4 ttm -64.88 -39.07 92.96 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 115.155 -0.929 . . . . 0.0 109.978 179.787 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 87.2 mtp -63.72 -37.23 86.59 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 110.026 -0.361 . . . . 0.0 110.026 179.443 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 98.2 m -61.41 -71.42 0.15 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.475 -179.791 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 96.8 t -65.43 -44.77 94.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.555 179.702 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 149' ' ' ARG . . . . . 0.431 ' N ' ' O ' ' A' ' 145' ' ' MET . 58.0 ttp180 . . . . . 0 C--O 1.218 -0.557 0 CA-C-O 118.054 -0.974 . . . . 0.0 110.306 179.63 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 221' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 234' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 85.9 m-20 . . . . . 0 N--CA 1.493 1.706 0 N-CA-C 109.487 -0.56 . . . . 0.0 109.487 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -52.94 -48.28 67.43 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.414 -0.515 . . . . 0.0 109.83 -179.782 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 44.4 tp10 -63.55 -30.55 71.65 Favored 'General case' 0 N--CA 1.45 -0.466 0 C-N-CA 120.888 -0.325 . . . . 0.0 110.299 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 14.1 tm-20 -66.34 -69.12 0.32 Allowed 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.022 -0.733 . . . . 0.0 109.022 178.763 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -45.45 -44.99 12.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.493 -179.747 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 80.5 mt -61.88 -44.9 95.87 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 120.36 -0.536 . . . . 0.0 110.44 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.411 ' HZ3' ' HB3' ' A' ' 86' ' ' LYS . 0.5 OUTLIER -63.73 -42.31 97.92 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 120.387 -0.525 . . . . 0.0 110.452 179.402 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 14.0 tm-20 -64.96 -55.03 21.51 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 120.463 -0.495 . . . . 0.0 110.22 179.772 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -51.69 -44.75 63.23 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 120.45 -0.5 . . . . 0.0 109.685 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 44.7 t80 -56.15 -46.28 79.33 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.738 -0.385 . . . . 0.0 110.158 179.622 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -58.42 -32.91 69.1 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.522 -0.308 . . . . 0.0 110.792 179.224 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 91.6 t -69.15 -47.32 75.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 C-N-CA 120.589 -0.445 . . . . 0.0 110.868 179.226 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -65.14 -34.77 79.18 Favored 'General case' 0 CA--C 1.517 -0.308 0 C-N-CA 120.726 -0.39 . . . . 0.0 110.367 179.596 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.443 ' OD2' ' N ' ' A' ' 98' ' ' GLY . 43.1 t0 -73.03 61.94 0.6 Allowed 'General case' 0 C--N 1.323 -0.567 0 C-N-CA 120.688 -0.405 . . . . 0.0 110.476 -179.353 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -50.61 -46.45 58.05 Favored 'General case' 0 C--N 1.333 -0.145 0 C-N-CA 120.472 -0.491 . . . . 0.0 110.154 -179.275 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -70.12 -5.56 27.9 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.931 0.396 . . . . 0.0 110.194 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 43.7 tp60 49.25 26.11 1.43 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.238 -179.522 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 39.2 p-10 -80.69 2.61 25.2 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 120.763 -0.375 . . . . 0.0 111.187 -179.247 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' GLY . . . . . 0.443 ' N ' ' OD2' ' A' ' 93' ' ' ASP . . . 84.88 -6.4 78.77 Favored Glycine 0 CA--C 1.527 0.807 0 N-CA-C 111.252 -0.739 . . . . 0.0 111.252 179.628 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 68.7 m-85 -132.05 136.71 47.41 Favored 'General case' 0 N--CA 1.468 0.436 0 N-CA-C 110.235 -0.283 . . . . 0.0 110.235 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 20.9 mt -82.68 123.67 38.66 Favored 'Isoleucine or valine' 0 C--O 1.235 0.317 0 N-CA-C 108.844 -0.798 . . . . 0.0 108.844 179.175 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 9.2 p -89.02 155.08 19.7 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.715 -179.229 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -53.89 -42.88 69.17 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.374 -0.531 . . . . 0.0 109.958 179.839 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 49.7 m -59.2 -41.88 89.61 Favored 'General case' 0 C--O 1.234 0.283 0 C-N-CA 120.754 -0.378 . . . . 0.0 110.533 179.677 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.408 ' O ' HG23 ' A' ' 108' ' ' VAL . 91.7 mt-10 -64.7 -37.83 88.91 Favored 'General case' 0 N--CA 1.443 -0.783 0 C-N-CA 120.667 -0.413 . . . . 0.0 110.436 179.274 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 32.6 tp -62.41 -42.3 99.33 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-O 120.804 0.335 . . . . 0.0 110.155 179.248 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 96.3 mtt-85 -61.4 -46.05 91.79 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.512 -0.475 . . . . 0.0 109.907 -179.619 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 11.8 t-160 -57.95 -42.84 85.78 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 120.499 -0.48 . . . . 0.0 109.758 179.386 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.408 HG23 ' O ' ' A' ' 104' ' ' GLU . 79.4 t -62.36 -46.62 96.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 C-N-CA 120.67 -0.412 . . . . 0.0 110.041 179.332 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 109' ' ' MET . . . . . 0.705 ' SD ' HD23 ' A' ' 116' ' ' LEU . 43.6 mtt -58.56 -41.77 86.39 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.586 -0.446 . . . . 0.0 110.028 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 97.2 mt -64.78 -43.42 96.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 C-N-CA 120.575 -0.45 . . . . 0.0 109.922 178.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 24.6 t-20 -60.83 -35.54 76.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.172 179.703 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 8.6 mp -76.32 -3.29 35.95 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.087 179.517 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 80.43 15.94 77.13 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -112.93 132.02 55.5 Favored 'General case' 0 N--CA 1.467 0.385 0 N-CA-C 109.57 -0.53 . . . . 0.0 109.57 179.661 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 15.9 pttp -130.46 107.49 9.27 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-O 120.871 0.367 . . . . 0.0 110.457 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.871 HD22 ' N ' ' A' ' 116' ' ' LEU . 0.8 OUTLIER -101.32 157.44 16.79 Favored 'General case' 0 CA--C 1.516 -0.349 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 117' ' ' THR . . . . . 0.4 HG22 ' N ' ' A' ' 118' ' ' ASP . 11.6 m -65.02 160.34 21.12 Favored 'General case' 0 N--CA 1.453 -0.301 0 N-CA-C 109.408 -0.589 . . . . 0.0 109.408 -179.693 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 118' ' ' ASP . . . . . 0.4 ' N ' HG22 ' A' ' 117' ' ' THR . 93.4 m-20 -61.09 -38.99 88.24 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.535 -0.466 . . . . 0.0 110.323 -179.588 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -61.45 -32.46 72.45 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.705 -0.398 . . . . 0.0 110.461 179.773 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -72.54 -48.86 36.87 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 120.544 -0.463 . . . . 0.0 110.463 179.087 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 91.9 t -62.17 -47.24 94.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 C-N-CA 120.578 -0.449 . . . . 0.0 109.914 179.677 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 69.2 mm-40 -58.39 -38.45 77.35 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.715 -0.394 . . . . 0.0 110.494 179.578 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 82.5 mt-30 -69.48 -39.4 77.69 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 120.667 -0.413 . . . . 0.0 110.679 178.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 58.2 ttm -61.41 -44.44 97.13 Favored 'General case' 0 N--CA 1.449 -0.511 0 C-N-CA 120.735 -0.386 . . . . 0.0 110.413 -179.691 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 43.4 mm -62.78 -47.35 93.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 N-CA-C 109.689 -0.485 . . . . 0.0 109.689 179.841 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 53.2 mtmt -65.15 -44.0 89.99 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.923 179.077 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 38.9 tp10 -67.17 -37.15 83.26 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.64 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -76.26 -28.94 57.27 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.203 -179.53 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 87.2 m-20 -77.21 116.3 17.72 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.289 0.566 . . . . 0.0 111.417 -179.221 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 5.9 tt -82.17 -26.31 33.52 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.408 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 40.3 p30 -108.17 15.3 24.3 Favored 'General case' 0 N--CA 1.467 0.394 0 N-CA-C 111.629 0.233 . . . . 0.0 111.629 -179.193 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 39.75 52.44 3.15 Favored Glycine 0 CA--C 1.529 0.919 0 C-N-CA 120.672 -0.775 . . . . 0.0 111.347 179.77 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 133' ' ' ASP . . . . . 0.544 ' OD1' ' N ' ' A' ' 134' ' ' GLY . 43.7 p-10 -96.41 -17.77 20.37 Favored 'General case' 0 N--CA 1.467 0.38 0 O-C-N 122.563 -0.375 . . . . 0.0 110.242 -179.891 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 134' ' ' GLY . . . . . 0.544 ' N ' ' OD1' ' A' ' 133' ' ' ASP . . . 97.66 -12.14 64.57 Favored Glycine 0 C--N 1.33 0.224 0 N-CA-C 110.382 -1.087 . . . . 0.0 110.382 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 135' ' ' GLN . . . . . 0.598 ' O ' 'CA ' ' A' ' 234' ' ' ' CA' . 5.2 mt-30 -115.91 131.16 57.02 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-O 120.735 0.302 . . . . 0.0 110.522 -178.674 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 36.6 t -81.69 119.21 30.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 N-CA-C 108.522 -0.918 . . . . 0.0 108.522 178.254 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 54.4 t30 -94.65 168.74 10.65 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-O 120.75 0.31 . . . . 0.0 110.169 179.368 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 138' ' ' TYR . . . . . 0.431 ' CE2' HG21 ' A' ' 142' ' ' VAL . 74.3 t80 -50.67 -46.87 58.79 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.717 -0.393 . . . . 0.0 110.996 -178.638 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 42.9 tp10 -58.81 -46.0 88.65 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.753 -0.379 . . . . 0.0 111.024 -179.474 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 66.6 mt-10 -66.13 -39.28 89.74 Favored 'General case' 0 N--CA 1.451 -0.417 0 C-N-CA 120.166 -0.614 . . . . 0.0 110.272 179.737 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 53.2 t80 -63.15 -49.8 72.89 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 178.892 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 142' ' ' VAL . . . . . 0.431 HG21 ' CE2' ' A' ' 138' ' ' TYR . 39.8 t -59.36 -46.88 92.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 N-CA-C 108.987 -0.745 . . . . 0.0 108.987 179.531 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -61.91 -49.19 77.18 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.737 179.61 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 14.2 tmm? -62.17 -39.72 93.58 Favored 'General case' 0 CA--C 1.512 -0.491 0 CA-C-O 121.544 0.687 . . . . 0.0 109.478 178.66 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 31.0 ttm -62.19 -38.76 90.32 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 115.124 -0.944 . . . . 0.0 109.871 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 146' ' ' MET . . . . . 0.442 ' C ' ' N ' ' A' ' 148' ' ' VAL . 56.6 mtm -64.53 -39.96 94.73 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 120.755 -0.378 . . . . 0.0 110.12 179.184 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 25.8 m -47.99 -17.26 0.11 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.299 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 148' ' ' VAL . . . . . 0.442 ' N ' ' C ' ' A' ' 146' ' ' MET . 21.8 t -78.94 -2.09 4.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.545 179.825 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 95.8 mtt-85 . . . . . 0 C--O 1.219 -0.502 0 CA-C-O 118.04 -0.981 . . . . 0.0 110.14 179.665 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 221' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 234' ' ' ' CA' . . . . . 0.598 'CA ' ' O ' ' A' ' 135' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 24.3 t70 . . . . . 0 N--CA 1.49 1.554 0 N-CA-C 109.941 -0.392 . . . . 0.0 109.941 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -49.38 -46.73 47.66 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 -179.659 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -63.74 -32.8 74.41 Favored 'General case' 0 N--CA 1.451 -0.411 0 C-N-CA 120.703 -0.399 . . . . 0.0 110.256 -179.639 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 82.3 tt0 -69.38 -68.27 0.42 Allowed 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 108.978 -0.749 . . . . 0.0 108.978 179.244 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -46.45 -44.02 17.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.217 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.535 HD23 ' OH ' ' A' ' 138' ' ' TYR . 51.2 tp -62.92 -44.72 95.31 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.291 -0.563 . . . . 0.0 110.199 179.837 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 89.2 tttt -60.9 -37.65 82.97 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.721 -0.392 . . . . 0.0 110.109 -179.48 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -66.99 -51.84 50.05 Favored 'General case' 0 N--CA 1.451 -0.419 0 C-N-CA 120.704 -0.398 . . . . 0.0 110.238 179.397 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -52.88 -46.28 67.85 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 120.475 -0.49 . . . . 0.0 109.899 -179.491 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 69.8 t80 -56.32 -44.81 80.31 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 109.921 -0.4 . . . . 0.0 109.921 179.662 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 16.5 mmmt -60.14 -34.28 73.32 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.819 179.512 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 84.7 t -68.91 -42.68 82.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.769 179.312 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.458 ' CZ ' HG11 ' A' ' 108' ' ' VAL . 5.0 m-85 -61.6 -35.43 77.84 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.58 -179.667 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.59 ' OD2' ' N ' ' A' ' 98' ' ' GLY . 6.9 t0 -72.08 72.29 0.87 Allowed 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.136 0.493 . . . . 0.0 110.848 -178.896 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 25.2 mtpp -50.95 -48.52 60.96 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 120.125 -0.63 . . . . 0.0 110.407 -179.354 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' ASP . . . . . 0.481 ' OD1' ' N ' ' A' ' 97' ' ' ASN . 7.7 p30 -79.37 -0.5 32.99 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.819 0.342 . . . . 0.0 110.512 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' GLN . . . . . 0.402 ' CD ' ' O ' ' A' ' 96' ' ' GLN . 0.4 OUTLIER 50.44 37.64 16.18 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.556 179.9 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 97' ' ' ASN . . . . . 0.481 ' N ' ' OD1' ' A' ' 95' ' ' ASP . 52.0 p-10 -85.06 -2.66 58.24 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.772 -0.371 . . . . 0.0 111.28 -179.208 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' GLY . . . . . 0.59 ' N ' ' OD2' ' A' ' 93' ' ' ASP . . . 90.53 -4.53 82.31 Favored Glycine 0 CA--C 1.53 1.028 0 N-CA-C 111.583 -0.607 . . . . 0.0 111.583 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 32.0 m-85 -128.67 172.26 11.4 Favored 'General case' 0 N--CA 1.467 0.419 0 N-CA-C 109.452 -0.574 . . . . 0.0 109.452 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 21.3 mt -120.43 130.37 74.51 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.48 0 N-CA-C 108.794 -0.817 . . . . 0.0 108.794 178.739 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 39.7 t -107.11 154.88 20.5 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.58 -179.586 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -52.22 -39.5 60.34 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 -179.688 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' SER . . . . . 0.428 ' O ' ' HG2' ' A' ' 106' ' ' ARG . 38.9 t -60.88 -43.08 98.93 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-O 121.056 0.455 . . . . 0.0 110.137 179.627 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.508 ' O ' HG23 ' A' ' 108' ' ' VAL . 92.8 mt-10 -71.23 -41.72 69.82 Favored 'General case' 0 N--CA 1.442 -0.85 0 C-N-CA 120.507 -0.477 . . . . 0.0 110.625 179.379 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 46.4 tp -65.7 -45.32 83.2 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-O 120.77 0.319 . . . . 0.0 111.47 179.631 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.489 ' CG ' ' N ' ' A' ' 107' ' ' HIS . 11.5 ptm180 -64.87 -46.88 79.96 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.224 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 107' ' ' HIS . . . . . 0.489 ' N ' ' CG ' ' A' ' 106' ' ' ARG . 13.4 t-80 -57.58 -43.25 84.46 Favored 'General case' 0 CA--C 1.517 -0.294 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 -179.565 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.508 HG23 ' O ' ' A' ' 104' ' ' GLU . 72.5 t -65.55 -43.11 94.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.979 178.838 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 3.3 mmt -60.62 -39.88 89.83 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.688 -0.405 . . . . 0.0 110.211 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 98.1 mt -65.29 -44.11 94.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 N-CA-C 109.888 -0.412 . . . . 0.0 109.888 179.101 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 13.9 t30 -60.34 -26.53 66.65 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.084 -0.507 . . . . 0.0 109.937 179.724 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.465 HD13 ' O ' ' A' ' 108' ' ' VAL . 8.0 mp -87.42 0.82 54.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.105 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 84.92 9.98 79.69 Favored Glycine 0 CA--C 1.524 0.597 0 N-CA-C 110.905 -0.878 . . . . 0.0 110.905 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -111.47 123.68 50.71 Favored 'General case' 0 N--CA 1.465 0.305 0 N-CA-C 109.856 -0.424 . . . . 0.0 109.856 179.62 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 16.3 ptmt -136.44 112.3 9.54 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 121.058 0.456 . . . . 0.0 110.37 -179.496 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 25.2 mt -101.04 157.57 16.66 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.449 -0.575 . . . . 0.0 109.449 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 117' ' ' THR . . . . . 0.474 ' N ' ' OE1' ' A' ' 120' ' ' GLU . 11.6 m -64.15 162.8 13.74 Favored 'General case' 0 N--CA 1.453 -0.304 0 N-CA-C 109.117 -0.698 . . . . 0.0 109.117 -179.593 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 118' ' ' ASP . . . . . 0.423 ' N ' HG22 ' A' ' 117' ' ' THR . 97.8 m-20 -61.33 -39.31 90.07 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 120.701 -0.4 . . . . 0.0 110.153 -179.407 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -65.29 -31.56 72.76 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 120.764 -0.374 . . . . 0.0 110.487 179.671 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 120' ' ' GLU . . . . . 0.474 ' OE1' ' N ' ' A' ' 117' ' ' THR . 69.7 mt-10 -70.04 -47.2 62.99 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.644 -0.422 . . . . 0.0 110.305 178.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 69.0 t -64.32 -45.73 95.22 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 C-N-CA 120.665 -0.414 . . . . 0.0 109.994 179.557 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 34.7 tp10 -57.42 -37.7 73.2 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 86.9 mt-30 -71.26 -40.71 70.79 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.662 179.039 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 34.1 ttm -62.3 -46.46 88.66 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-O 120.776 0.322 . . . . 0.0 110.443 -179.699 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 7.5 mm -62.89 -48.16 89.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 179.743 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 29.2 mmtp -64.62 -43.32 94.13 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.969 179.656 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 80.8 tt0 -69.56 -37.07 76.87 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.74 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -78.11 -29.9 49.19 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.594 -179.343 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 129' ' ' ASP . . . . . 0.529 ' OD2' ' N ' ' A' ' 133' ' ' ASP . 67.1 t0 -77.42 119.93 21.71 Favored 'General case' 0 CA--C 1.51 -0.568 0 CA-C-O 121.255 0.55 . . . . 0.0 111.593 -179.423 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 7.1 tp -84.96 -21.07 29.71 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.42 -0.809 . . . . 0.0 111.309 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 131' ' ' ASP . . . . . 0.403 ' OD1' ' C ' ' A' ' 131' ' ' ASP . 19.6 p30 -110.62 12.19 22.72 Favored 'General case' 0 N--CA 1.47 0.565 0 N-CA-C 111.568 0.21 . . . . 0.0 111.568 -179.009 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 41.19 30.31 0.43 Allowed Glycine 0 CA--C 1.528 0.872 0 N-CA-C 111.191 -0.763 . . . . 0.0 111.191 179.73 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 133' ' ' ASP . . . . . 0.529 ' N ' ' OD2' ' A' ' 129' ' ' ASP . 43.0 p-10 -72.01 -18.67 61.95 Favored 'General case' 0 C--O 1.231 0.125 0 C-N-CA 120.792 -0.363 . . . . 0.0 110.413 -179.792 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 98.12 -7.66 62.5 Favored Glycine 0 C--N 1.332 0.332 0 N-CA-C 110.373 -1.091 . . . . 0.0 110.373 179.819 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 13.4 mt-30 -120.97 135.12 55.28 Favored 'General case' 0 N--CA 1.454 -0.269 0 N-CA-C 110.171 -0.307 . . . . 0.0 110.171 -178.37 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 99.2 t -84.27 118.51 31.66 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 N-CA-C 108.613 -0.884 . . . . 0.0 108.613 178.264 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 49.4 p-10 -93.86 170.94 9.18 Favored 'General case' 0 N--CA 1.467 0.384 0 N-CA-C 109.862 -0.422 . . . . 0.0 109.862 179.389 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 138' ' ' TYR . . . . . 0.535 ' OH ' HD23 ' A' ' 85' ' ' LEU . 60.7 t80 -54.26 -45.1 72.33 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.951 -0.3 . . . . 0.0 111.16 -178.529 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 41.0 tp10 -58.39 -45.06 89.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.836 0.351 . . . . 0.0 110.654 -179.415 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -72.39 -35.85 68.52 Favored 'General case' 0 N--CA 1.446 -0.641 0 C-N-CA 119.841 -0.743 . . . . 0.0 109.537 179.814 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 64.5 t80 -62.83 -55.0 30.27 Favored 'General case' 0 C--O 1.232 0.16 0 C-N-CA 120.494 -0.482 . . . . 0.0 110.371 179.73 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 142' ' ' VAL . . . . . 0.518 HG13 ' N ' ' A' ' 143' ' ' LYS . 11.6 p -59.37 -43.24 89.78 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.139 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 143' ' ' LYS . . . . . 0.518 ' N ' HG13 ' A' ' 142' ' ' VAL . 3.6 ttmp? -61.09 -49.85 75.64 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.857 -0.61 . . . . 0.0 109.96 179.393 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 56.8 ttp -60.62 -39.41 88.1 Favored 'General case' 0 CA--C 1.512 -0.512 0 CA-C-N 115.639 -0.709 . . . . 0.0 109.293 179.42 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 145' ' ' MET . . . . . 0.404 ' O ' ' C ' ' A' ' 149' ' ' ARG . 47.5 ttm -66.12 -39.99 90.36 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 114.831 -1.077 . . . . 0.0 110.118 179.158 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 11.6 mmt -61.29 -37.49 83.36 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 26.5 m -58.32 -71.73 0.11 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.544 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 71.8 t -60.83 -43.11 94.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.598 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 149' ' ' ARG . . . . . 0.404 ' C ' ' O ' ' A' ' 145' ' ' MET . 13.6 ptm180 . . . . . 0 C--O 1.22 -0.452 0 CA-C-O 117.883 -1.055 . . . . 0.0 111.11 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 221' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 234' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 46.2 t0 . . . . . 0 N--CA 1.491 1.592 0 N-CA-C 109.691 -0.485 . . . . 0.0 109.691 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -51.3 -47.12 62.67 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 120.434 -0.506 . . . . 0.0 109.739 -179.723 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.527 ' OE1' ' NZ ' ' A' ' 86' ' ' LYS . 3.0 tm-20 -64.72 -34.33 78.07 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.588 -179.757 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -62.73 -70.7 0.19 Allowed 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 179.149 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 76.1 mm-40 -43.36 -38.11 2.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.68 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 37.8 mt -61.81 -43.85 98.03 Favored 'General case' 0 C--O 1.231 0.128 0 C-N-CA 120.424 -0.51 . . . . 0.0 110.232 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.527 ' NZ ' ' OE1' ' A' ' 82' ' ' GLU . 48.0 mttp -61.8 -41.4 97.71 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.424 -0.51 . . . . 0.0 110.15 179.228 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 13.8 tm-20 -64.75 -53.87 40.25 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 120.491 -0.483 . . . . 0.0 110.139 179.721 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -55.09 -49.35 71.9 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.911 0.386 . . . . 0.0 109.968 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 33.3 t80 -58.0 -41.87 83.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.042 179.711 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.627 ' HG3' HE22 ' A' ' 96' ' ' GLN . 63.1 tttp -60.62 -33.68 73.12 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.675 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 70.2 t -68.01 -47.11 80.25 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.24 0 C-N-CA 120.746 -0.381 . . . . 0.0 110.77 179.262 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -68.51 -34.67 76.29 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.39 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 35.8 t0 -71.78 60.41 0.36 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.5 -179.42 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 17.1 tptp -51.39 -46.47 62.86 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.527 -0.469 . . . . 0.0 110.048 -179.003 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' ASP . . . . . 0.443 ' OD2' ' OE2' ' A' ' 104' ' ' GLU . 5.5 m-20 -70.48 -7.78 46.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.891 0.377 . . . . 0.0 110.031 -179.605 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' GLN . . . . . 0.627 HE22 ' HG3' ' A' ' 90' ' ' LYS . 24.9 tp60 49.93 32.75 5.84 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.102 -179.823 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 49.4 p-10 -90.55 4.73 50.36 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 116.506 -0.315 . . . . 0.0 111.321 -179.191 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 82.77 -7.53 65.54 Favored Glycine 0 CA--C 1.528 0.855 0 N-CA-C 111.484 -0.646 . . . . 0.0 111.484 179.426 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 63.3 m-85 -128.94 134.04 48.07 Favored 'General case' 0 N--CA 1.468 0.454 0 N-CA-C 110.425 -0.213 . . . . 0.0 110.425 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 31.1 mt -84.33 129.85 36.94 Favored 'Isoleucine or valine' 0 C--O 1.237 0.43 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 178.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 4.0 m -97.92 157.07 16.31 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.56 -179.499 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -52.11 -41.54 62.54 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.692 -0.485 . . . . 0.0 109.692 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' SER . . . . . 0.407 ' HA ' HH11 ' A' ' 106' ' ' ARG . 78.0 p -59.04 -41.77 88.66 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.695 -0.402 . . . . 0.0 110.271 179.81 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.443 ' OE2' ' OD2' ' A' ' 95' ' ' ASP . 87.9 mt-10 -68.5 -39.53 81.25 Favored 'General case' 0 N--CA 1.444 -0.729 0 C-N-CA 120.832 -0.347 . . . . 0.0 111.001 179.338 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.565 HD13 ' O ' ' A' ' 105' ' ' LEU . 0.2 OUTLIER -61.37 -42.56 98.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.028 0.442 . . . . 0.0 109.963 -179.448 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.435 ' HG2' ' N ' ' A' ' 107' ' ' HIS . 9.3 ptt-85 -64.06 -44.64 91.81 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 120.387 -0.525 . . . . 0.0 109.694 179.357 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 107' ' ' HIS . . . . . 0.435 ' N ' ' HG2' ' A' ' 106' ' ' ARG . 29.6 t-80 -52.42 -40.9 62.73 Favored 'General case' 0 CA--C 1.514 -0.43 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 -178.865 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 85.0 t -66.14 -40.75 87.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.154 178.581 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 17.0 mmt -59.89 -45.33 92.88 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 120.574 -0.45 . . . . 0.0 110.633 -178.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.434 ' N ' HD12 ' A' ' 110' ' ' ILE . 1.4 mp -65.97 -43.02 92.87 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.318 0 N-CA-C 109.886 -0.413 . . . . 0.0 109.886 178.597 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 111' ' ' ASN . . . . . 0.433 ' OD1' ' O ' ' A' ' 111' ' ' ASN . 53.9 t-20 -61.62 -37.53 84.28 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.431 -179.532 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -78.07 -2.75 38.83 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.122 179.829 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 85.19 17.29 63.03 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 179.629 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -112.61 128.71 56.45 Favored 'General case' 0 N--CA 1.464 0.269 0 N-CA-C 109.916 -0.402 . . . . 0.0 109.916 179.389 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 32.0 mtpt -132.15 109.8 10.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.907 0.384 . . . . 0.0 110.413 -179.617 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 72.8 mt -118.58 165.4 13.99 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.703 179.553 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 117' ' ' THR . . . . . 0.419 ' H ' HG22 ' A' ' 117' ' ' THR . 0.0 OUTLIER -73.73 164.83 26.13 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.618 -0.512 . . . . 0.0 109.618 179.595 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 55.2 t0 -62.41 -37.36 85.51 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.597 -0.441 . . . . 0.0 110.614 -179.585 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -56.26 -39.48 72.68 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.887 -0.325 . . . . 0.0 110.671 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 62.0 mm-40 -71.82 -48.98 42.54 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.64 -0.424 . . . . 0.0 110.244 178.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 76.5 t -64.2 -46.39 93.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 C-N-CA 120.647 -0.421 . . . . 0.0 110.051 179.759 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 43.4 tp10 -60.08 -37.59 80.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.072 -0.513 . . . . 0.0 109.956 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 60.0 tt0 -62.01 -45.56 93.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.217 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 74.8 mtm -65.21 -39.55 92.93 Favored 'General case' 0 N--CA 1.446 -0.659 0 C-N-CA 120.964 -0.294 . . . . 0.0 110.269 179.714 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 5.6 mm -62.9 -45.62 98.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -67.41 -41.98 83.99 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.434 -0.803 . . . . 0.0 111.109 178.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 12.6 tm-20 -70.05 -38.87 75.93 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.043 -179.85 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -70.39 -29.36 65.98 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.505 -0.77 . . . . 0.0 111.283 -178.895 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 129' ' ' ASP . . . . . 0.527 ' OD2' ' N ' ' A' ' 133' ' ' ASP . 23.2 t0 -78.64 116.49 19.04 Favored 'General case' 0 CA--C 1.51 -0.589 0 CA-C-O 121.429 0.633 . . . . 0.0 111.605 -178.852 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 6.1 tp -86.17 -24.59 26.09 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 114.975 -1.011 . . . . 0.0 111.586 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 42.8 p30 -103.84 11.21 35.97 Favored 'General case' 0 N--CA 1.47 0.529 0 N-CA-C 111.601 0.223 . . . . 0.0 111.601 -179.116 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 132' ' ' GLY . . . . . 0.408 ' CA ' ' OD2' ' A' ' 129' ' ' ASP . . . 44.03 30.25 1.72 Allowed Glycine 0 CA--C 1.528 0.895 0 C-N-CA 120.803 -0.713 . . . . 0.0 111.332 179.429 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 133' ' ' ASP . . . . . 0.527 ' N ' ' OD2' ' A' ' 129' ' ' ASP . 15.2 p-10 -74.33 -17.58 60.82 Favored 'General case' 0 C--N 1.333 -0.119 0 CA-C-O 120.946 0.403 . . . . 0.0 110.748 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 97.16 -7.79 64.54 Favored Glycine 0 C--N 1.332 0.319 0 N-CA-C 110.213 -1.155 . . . . 0.0 110.213 179.692 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 135' ' ' GLN . . . . . 0.415 ' H ' ' CG ' ' A' ' 133' ' ' ASP . 6.5 mt-30 -122.86 139.31 54.16 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-O 120.843 0.354 . . . . 0.0 110.302 -178.383 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 88.6 t -81.85 121.36 35.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 N-CA-C 108.471 -0.937 . . . . 0.0 108.471 178.802 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 64.3 t30 -93.89 164.45 13.1 Favored 'General case' 0 N--CA 1.465 0.308 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 179.301 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 73.6 t80 -46.09 -51.27 14.15 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.486 -0.325 . . . . 0.0 111.061 -178.793 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 -59.78 -42.04 92.45 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.879 -0.328 . . . . 0.0 110.743 -179.689 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 75.3 mt-10 -66.14 -42.18 89.42 Favored 'General case' 0 N--CA 1.45 -0.458 0 C-N-CA 120.395 -0.522 . . . . 0.0 110.09 179.705 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 55.5 t80 -61.88 -50.13 73.45 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 178.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 55.5 t -59.37 -46.21 92.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.813 -0.631 . . . . 0.0 109.347 179.783 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 65.3 tttm -60.82 -48.4 81.97 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.755 -0.657 . . . . 0.0 109.815 179.696 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 47.9 ttp -62.86 -40.6 97.96 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.616 -0.72 . . . . 0.0 109.505 178.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 145' ' ' MET . . . . . 0.736 ' O ' HG22 ' A' ' 148' ' ' VAL . 36.6 ttm -62.12 -39.19 91.7 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 114.607 -1.178 . . . . 0.0 109.798 179.635 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 146' ' ' MET . . . . . 0.529 ' O ' ' N ' ' A' ' 148' ' ' VAL . 57.1 mmm -64.79 -38.03 89.6 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.192 179.668 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 14.6 m -44.46 -14.57 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.967 0.413 . . . . 0.0 110.983 -179.84 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 148' ' ' VAL . . . . . 0.736 HG22 ' O ' ' A' ' 145' ' ' MET . 4.6 m -80.67 -8.89 11.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.47 -179.593 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 72.7 ttp85 . . . . . 0 C--O 1.22 -0.454 0 CA-C-O 118.001 -0.999 . . . . 0.0 110.396 -179.83 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 221' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 234' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.494 ' CA ' ' OE1' ' A' ' 83' ' ' GLU . 98.6 m-20 . . . . . 0 N--CA 1.49 1.564 0 N-CA-C 110.098 -0.334 . . . . 0.0 110.098 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -55.83 -49.26 73.75 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 120.309 -0.556 . . . . 0.0 109.969 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -60.81 -30.16 69.91 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 120.658 -0.417 . . . . 0.0 110.77 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.528 ' OE1' ' N ' ' A' ' 83' ' ' GLU . 54.5 mp0 -71.9 -66.56 0.62 Allowed 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.241 -0.651 . . . . 0.0 109.241 178.935 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 75.8 mt-10 -46.18 -47.76 17.65 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 120.62 -0.432 . . . . 0.0 110.349 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.571 HD13 ' O ' ' A' ' 85' ' ' LEU . 0.2 OUTLIER -61.91 -45.31 94.29 Favored 'General case' 0 N--CA 1.452 -0.342 0 C-N-CA 120.09 -0.644 . . . . 0.0 110.369 -179.71 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 64.0 tttm -62.26 -41.01 98.07 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.46 -0.496 . . . . 0.0 110.313 179.765 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -67.39 -53.16 31.67 Favored 'General case' 0 N--CA 1.452 -0.367 0 C-N-CA 120.623 -0.431 . . . . 0.0 110.466 179.569 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -52.47 -45.63 66.19 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.411 -0.516 . . . . 0.0 110.208 -179.654 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 36.5 t80 -57.02 -44.57 83.0 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.024 179.429 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 64.9 mmtt -60.3 -32.61 71.38 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.745 -0.382 . . . . 0.0 110.896 179.357 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 98.9 t -70.18 -48.23 62.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 C-N-CA 120.528 -0.469 . . . . 0.0 110.74 179.439 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -63.47 -33.84 76.46 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.556 -0.458 . . . . 0.0 110.249 179.827 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.528 ' OD2' ' N ' ' A' ' 98' ' ' GLY . 21.3 t0 -70.22 66.22 0.28 Allowed 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 120.561 -0.456 . . . . 0.0 110.629 -179.446 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -48.84 -47.76 42.33 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.347 -0.541 . . . . 0.0 110.186 -179.229 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -73.82 -6.73 48.88 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 120.856 -0.337 . . . . 0.0 110.213 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 43.1 tt0 49.18 36.88 9.85 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.018 -179.489 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 53.6 p-10 -92.77 3.43 55.66 Favored 'General case' 0 N--CA 1.464 0.251 0 C-N-CA 120.739 -0.384 . . . . 0.0 111.345 -179.085 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' GLY . . . . . 0.528 ' N ' ' OD2' ' A' ' 93' ' ' ASP . . . 88.0 -9.63 73.85 Favored Glycine 0 CA--C 1.525 0.717 0 N-CA-C 111.395 -0.682 . . . . 0.0 111.395 179.57 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 60.7 m-85 -127.29 133.3 50.16 Favored 'General case' 0 N--CA 1.467 0.417 0 N-CA-C 110.273 -0.269 . . . . 0.0 110.273 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 38.7 mt -84.23 129.06 38.27 Favored 'Isoleucine or valine' 0 C--O 1.237 0.402 0 N-CA-C 108.936 -0.764 . . . . 0.0 108.936 179.062 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.5 m -96.04 154.1 17.42 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.592 -179.547 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -50.16 -40.66 47.34 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.346 -0.541 . . . . 0.0 110.22 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 78.1 p -64.73 -36.28 83.79 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.723 -0.391 . . . . 0.0 110.577 179.42 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 85.5 mt-10 -69.15 -42.03 76.51 Favored 'General case' 0 N--CA 1.444 -0.756 0 C-N-CA 120.563 -0.455 . . . . 0.0 109.996 179.029 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 27.8 tp -66.78 -40.77 88.31 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-O 121.128 0.49 . . . . 0.0 109.685 178.809 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 36.1 ttt85 -58.71 -49.97 75.62 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.258 -0.577 . . . . 0.0 109.766 179.349 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 11.7 t-160 -54.18 -41.09 68.16 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 -179.764 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 86.2 t -65.63 -42.78 93.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 C-N-CA 120.605 -0.438 . . . . 0.0 110.228 178.869 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 19.8 mmt -59.54 -44.08 93.31 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.647 -0.421 . . . . 0.0 110.331 -179.212 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.405 ' N ' HD12 ' A' ' 110' ' ' ILE . 1.7 mp -65.0 -42.68 95.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 C-N-CA 120.518 -0.473 . . . . 0.0 110.182 177.785 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 19.8 t-20 -59.17 -33.59 71.11 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 -179.354 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 8.7 mp -81.0 -2.48 48.1 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.17 179.426 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 83.92 17.76 64.73 Favored Glycine 0 CA--C 1.526 0.763 0 N-CA-C 111.024 -0.831 . . . . 0.0 111.024 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -121.27 135.64 55.09 Favored 'General case' 0 N--CA 1.467 0.41 0 N-CA-C 109.666 -0.494 . . . . 0.0 109.666 179.595 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 39.5 pttt -140.27 119.12 12.52 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-O 120.738 0.304 . . . . 0.0 110.392 -179.609 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.902 HD22 ' N ' ' A' ' 116' ' ' LEU . 0.9 OUTLIER -105.17 157.5 17.23 Favored 'General case' 0 N--CA 1.466 0.341 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 -179.967 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 19.9 p -63.99 164.51 10.37 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.064 -0.654 . . . . 0.0 109.347 -179.407 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 54.3 t0 -62.41 -40.35 96.23 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.378 -0.529 . . . . 0.0 110.564 -179.486 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -62.17 -33.72 75.05 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 120.687 -0.405 . . . . 0.0 110.667 -179.767 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 72.9 mm-40 -70.39 -45.29 66.28 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 120.512 -0.475 . . . . 0.0 110.514 179.14 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 74.8 t -63.26 -47.31 92.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 C-N-CA 120.46 -0.496 . . . . 0.0 110.15 179.68 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -57.29 -39.18 75.2 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 120.797 -0.361 . . . . 0.0 110.377 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 92.9 mt-30 -68.3 -39.13 82.16 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.732 -0.387 . . . . 0.0 110.768 179.216 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 90.1 mtp -62.64 -43.98 97.43 Favored 'General case' 0 N--CA 1.449 -0.497 0 C-N-CA 120.734 -0.386 . . . . 0.0 110.711 -179.447 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 125' ' ' ILE . . . . . 0.402 HG22 ' OD2' ' A' ' 129' ' ' ASP . 9.6 mm -62.91 -48.2 89.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 C-N-CA 120.596 -0.442 . . . . 0.0 110.025 179.437 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 9.2 mtmp? -63.29 -44.31 95.4 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.992 179.708 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 71.5 mm-40 -68.01 -38.16 82.28 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.982 179.576 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -76.27 -28.95 57.26 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.167 -179.428 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 129' ' ' ASP . . . . . 0.402 ' OD2' HG22 ' A' ' 125' ' ' ILE . 89.7 m-20 -75.16 114.73 14.0 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.211 0.529 . . . . 0.0 111.286 -179.276 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 57.7 tp -77.49 -29.07 52.4 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.716 -0.675 . . . . 0.0 111.28 179.712 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 131' ' ' ASP . . . . . 0.402 ' OD1' ' C ' ' A' ' 131' ' ' ASP . 41.2 p-10 -106.53 16.28 24.83 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 111.701 0.26 . . . . 0.0 111.701 -178.798 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 39.2 53.71 2.65 Favored Glycine 0 CA--C 1.53 0.985 0 C-N-CA 120.625 -0.798 . . . . 0.0 111.476 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 133' ' ' ASP . . . . . 0.511 ' OD1' ' N ' ' A' ' 135' ' ' GLN . 26.4 p30 -97.78 -15.84 20.12 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 117.009 0.405 . . . . 0.0 110.142 -179.691 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 134' ' ' GLY . . . . . 0.443 ' N ' ' OD1' ' A' ' 133' ' ' ASP . . . 97.29 -10.91 65.47 Favored Glycine 0 C--N 1.331 0.265 0 N-CA-C 110.319 -1.112 . . . . 0.0 110.319 179.66 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 135' ' ' GLN . . . . . 0.511 ' N ' ' OD1' ' A' ' 133' ' ' ASP . 4.6 mt-30 -118.22 134.98 54.54 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-O 120.578 0.228 . . . . 0.0 110.604 -178.736 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 89.0 t -80.05 121.84 34.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 N-CA-C 108.359 -0.978 . . . . 0.0 108.359 178.869 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 63.3 t30 -94.86 163.54 13.3 Favored 'General case' 0 N--CA 1.469 0.516 0 N-CA-C 110.1 -0.333 . . . . 0.0 110.1 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 138' ' ' TYR . . . . . 0.425 ' CZ ' HD12 ' A' ' 85' ' ' LEU . 43.5 t80 -45.72 -52.39 11.05 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.59 -0.444 . . . . 0.0 111.004 -178.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 38.5 tp10 -58.04 -42.55 85.61 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.76 -0.376 . . . . 0.0 111.092 -179.31 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 55.6 mt-10 -66.13 -41.75 90.04 Favored 'General case' 0 C--N 1.324 -0.512 0 C-N-CA 120.196 -0.602 . . . . 0.0 110.317 179.793 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 61.4 t80 -61.87 -50.82 70.7 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 179.198 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 53.6 t -59.47 -45.34 93.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 N-CA-C 109.138 -0.689 . . . . 0.0 109.138 179.698 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 63.9 tttp -60.89 -49.71 76.36 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.943 179.617 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 59.7 ttp -60.73 -39.24 87.88 Favored 'General case' 0 CA--C 1.515 -0.383 0 CA-C-O 121.431 0.634 . . . . 0.0 109.354 179.176 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 145' ' ' MET . . . . . 0.411 ' O ' ' OXT' ' A' ' 149' ' ' ARG . 42.1 ttm -66.03 -38.77 89.25 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 115.136 -0.938 . . . . 0.0 110.098 179.736 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 78.5 mmm -62.15 -39.82 93.9 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.861 -0.422 . . . . 0.0 109.861 179.436 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 71.2 m -58.09 -72.77 0.09 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.38 -179.756 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 12.7 m -62.54 -27.71 43.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.366 179.755 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 149' ' ' ARG . . . . . 0.411 ' OXT' ' O ' ' A' ' 145' ' ' MET . 61.1 ttp180 . . . . . 0 C--O 1.221 -0.43 0 CA-C-O 118.031 -0.985 . . . . 0.0 110.565 179.626 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 221' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 234' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 . . . . . 0 N--CA 1.489 1.484 0 N-CA-C 110.05 -0.352 . . . . 0.0 110.05 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -55.92 -47.89 76.67 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.406 -0.518 . . . . 0.0 109.937 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -65.57 -38.75 90.45 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.96 0.41 . . . . 0.0 110.576 -179.772 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -64.12 -71.41 0.18 Allowed 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 179.135 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -43.95 -37.29 2.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.602 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.517 HD23 ' OH ' ' A' ' 138' ' ' TYR . 51.0 tp -60.59 -43.97 96.77 Favored 'General case' 0 C--N 1.331 -0.202 0 C-N-CA 120.284 -0.566 . . . . 0.0 110.114 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 60.0 mmtt -62.18 -39.14 91.71 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 120.471 -0.492 . . . . 0.0 110.406 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.432 ' O ' ' HG3' ' A' ' 90' ' ' LYS . 38.5 tp10 -70.59 -48.84 53.24 Favored 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 120.476 -0.49 . . . . 0.0 109.988 179.504 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -55.79 -47.88 76.31 Favored 'General case' 0 C--N 1.319 -0.751 0 C-N-CA 120.261 -0.576 . . . . 0.0 110.367 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 54.6 t80 -57.06 -45.09 83.49 Favored 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 120.782 -0.367 . . . . 0.0 110.55 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.444 ' HG3' ' N ' ' A' ' 91' ' ' VAL . 0.0 OUTLIER -60.01 -29.53 68.55 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.232 0.539 . . . . 0.0 111.174 -179.909 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.444 ' N ' ' HG3' ' A' ' 90' ' ' LYS . 54.0 t -70.48 -46.71 69.3 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.207 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.262 -179.093 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -62.96 -30.9 71.93 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.251 179.297 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.548 ' OD2' ' N ' ' A' ' 98' ' ' GLY . 18.0 t0 -72.46 66.83 0.71 Allowed 'General case' 0 C--N 1.322 -0.623 0 C-N-CA 120.668 -0.413 . . . . 0.0 110.784 -179.39 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 75.7 tttt -51.78 -47.58 64.12 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.322 -0.551 . . . . 0.0 109.999 -179.417 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' ASP . . . . . 0.439 ' OD2' ' OE2' ' A' ' 104' ' ' GLU . 4.6 m-20 -72.94 -6.22 43.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.96 0.41 . . . . 0.0 110.054 -179.629 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 47.9 tt0 49.9 33.05 6.06 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.082 -0.508 . . . . 0.0 109.841 -179.613 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 48.9 p-10 -90.5 3.93 52.57 Favored 'General case' 0 C--N 1.329 -0.314 0 O-C-N 122.07 -0.394 . . . . 0.0 111.09 -179.147 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' GLY . . . . . 0.548 ' N ' ' OD2' ' A' ' 93' ' ' ASP . . . 83.35 -0.38 89.7 Favored Glycine 0 CA--C 1.527 0.84 0 N-CA-C 111.414 -0.674 . . . . 0.0 111.414 179.591 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 48.3 m-85 -133.11 138.14 46.57 Favored 'General case' 0 N--CA 1.469 0.475 0 N-CA-C 110.306 -0.257 . . . . 0.0 110.306 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 15.8 mt -90.61 126.63 43.38 Favored 'Isoleucine or valine' 0 C--O 1.239 0.522 0 N-CA-C 108.943 -0.762 . . . . 0.0 108.943 178.89 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 24.8 p -98.59 159.65 14.81 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.783 -179.447 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -53.76 -41.96 67.71 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.392 -0.523 . . . . 0.0 109.768 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' SER . . . . . 0.508 ' O ' ' ND1' ' A' ' 107' ' ' HIS . 77.2 p -58.58 -40.69 83.84 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-O 121.078 0.465 . . . . 0.0 110.327 179.8 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.476 ' O ' HG23 ' A' ' 108' ' ' VAL . 95.5 mt-10 -73.12 -39.93 65.34 Favored 'General case' 0 N--CA 1.444 -0.735 0 C-N-CA 120.572 -0.451 . . . . 0.0 110.738 178.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 39.2 tp -62.46 -44.34 96.64 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-O 120.863 0.364 . . . . 0.0 111.295 -179.72 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.45 ' HG2' ' O ' ' A' ' 103' ' ' SER . 19.1 ptp180 -64.96 -43.59 92.17 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.504 -0.479 . . . . 0.0 110.108 179.596 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 107' ' ' HIS . . . . . 0.508 ' ND1' ' O ' ' A' ' 103' ' ' SER . 37.5 m170 -57.64 -44.52 85.67 Favored 'General case' 0 N--CA 1.452 -0.33 0 C-N-CA 120.49 -0.484 . . . . 0.0 109.815 -179.697 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.476 HG23 ' O ' ' A' ' 104' ' ' GLU . 96.5 t -65.9 -42.78 92.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.272 179.327 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 3.6 mmt -62.62 -43.22 99.36 Favored 'General case' 0 C--N 1.332 -0.186 0 C-N-CA 120.543 -0.463 . . . . 0.0 110.361 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 94.2 mt -63.07 -44.65 99.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 C-N-CA 120.479 -0.489 . . . . 0.0 109.726 179.578 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 28.8 t30 -60.86 -28.61 68.98 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.728 -0.471 . . . . 0.0 109.728 179.564 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.431 HD22 ' HA ' ' A' ' 112' ' ' LEU . 0.2 OUTLIER -82.42 -1.81 51.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.066 -179.858 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 87.94 13.15 64.95 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -116.02 127.58 55.02 Favored 'General case' 0 N--CA 1.467 0.42 0 N-CA-C 109.866 -0.42 . . . . 0.0 109.866 179.401 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 19.6 pttm -136.67 114.79 11.54 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-O 121.014 0.435 . . . . 0.0 110.53 -179.773 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 60.6 mt -109.01 163.92 12.88 Favored 'General case' 0 N--CA 1.466 0.351 0 N-CA-C 109.553 -0.536 . . . . 0.0 109.553 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 72.3 p -71.3 167.74 18.85 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 118' ' ' ASP . . . . . 0.534 ' OD1' ' N ' ' A' ' 119' ' ' GLU . 40.3 p-10 -64.41 -42.62 95.99 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.424 -0.51 . . . . 0.0 110.905 -179.76 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 119' ' ' GLU . . . . . 0.534 ' N ' ' OD1' ' A' ' 118' ' ' ASP . 96.8 mt-10 -58.22 -33.26 69.12 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.813 0.34 . . . . 0.0 110.747 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -73.9 -46.77 42.44 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 120.515 -0.474 . . . . 0.0 110.312 178.894 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 69.5 t -65.63 -43.99 93.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.076 179.475 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -63.21 -39.51 94.83 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.714 -0.394 . . . . 0.0 110.388 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 78.4 mm-40 -69.23 -41.22 77.31 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.682 -0.407 . . . . 0.0 110.503 179.238 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 45.7 ttp -65.03 -42.29 94.47 Favored 'General case' 0 N--CA 1.45 -0.458 0 C-N-CA 120.97 -0.292 . . . . 0.0 110.316 179.538 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 4.7 mm -64.27 -47.44 89.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 121.311 0.577 . . . . 0.0 109.781 179.64 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 54.7 mtpt -64.57 -39.88 94.54 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.811 179.384 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 75.9 tt0 -73.88 -35.83 64.75 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.818 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -75.44 -29.05 59.57 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.321 -179.343 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 129' ' ' ASP . . . . . 0.506 ' OD2' ' N ' ' A' ' 133' ' ' ASP . 28.7 t0 -70.87 110.8 5.83 Favored 'General case' 0 CA--C 1.509 -0.607 0 CA-C-O 121.215 0.531 . . . . 0.0 111.893 -179.16 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.467 ' H ' ' HG2' ' A' ' 140' ' ' GLU . 51.6 tp -88.45 -26.44 22.1 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.409 -0.814 . . . . 0.0 111.35 179.365 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 44.1 m-20 -79.94 -10.61 59.79 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 120.921 -0.311 . . . . 0.0 111.553 -178.499 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 70.99 22.02 78.38 Favored Glycine 0 CA--C 1.527 0.789 0 C-N-CA 120.551 -0.833 . . . . 0.0 111.213 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 133' ' ' ASP . . . . . 0.506 ' N ' ' OD2' ' A' ' 129' ' ' ASP . 37.6 p-10 -95.02 -12.41 26.67 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-O 120.91 0.386 . . . . 0.0 110.39 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 85.34 11.27 75.76 Favored Glycine 0 C--N 1.331 0.287 0 N-CA-C 110.531 -1.028 . . . . 0.0 110.531 179.773 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 9.1 mt-30 -121.71 146.6 46.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.896 0.379 . . . . 0.0 110.382 -178.597 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 6.4 t -87.67 117.32 31.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 N-CA-C 108.158 -1.052 . . . . 0.0 108.158 178.431 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 58.2 t30 -103.41 169.75 8.35 Favored 'General case' 0 N--CA 1.468 0.44 0 N-CA-C 109.965 -0.383 . . . . 0.0 109.965 179.325 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 138' ' ' TYR . . . . . 0.517 ' OH ' HD23 ' A' ' 85' ' ' LEU . 69.2 t80 -45.65 -52.12 11.25 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 120.936 -0.306 . . . . 0.0 110.967 -178.753 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 83.1 tt0 -60.48 -45.07 95.08 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 120.841 -0.343 . . . . 0.0 111.21 -179.454 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 140' ' ' GLU . . . . . 0.467 ' HG2' ' H ' ' A' ' 130' ' ' LEU . 57.8 mt-10 -67.0 -43.36 83.14 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 120.181 -0.608 . . . . 0.0 110.493 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 141' ' ' PHE . . . . . 0.481 ' O ' ' N ' ' A' ' 145' ' ' MET . 55.9 t80 -60.64 -49.54 77.09 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.176 -0.676 . . . . 0.0 109.176 179.357 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 35.3 t -60.09 -46.52 94.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 179.322 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 26.4 tptp -62.97 -48.59 78.2 Favored 'General case' 0 N--CA 1.444 -0.731 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.376 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 144' ' ' MET . . . . . 0.446 ' SD ' ' C ' ' A' ' 144' ' ' MET . 9.0 tmm? -66.72 -43.09 85.19 Favored 'General case' 0 CA--C 1.51 -0.558 0 CA-C-O 121.615 0.722 . . . . 0.0 110.03 178.92 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 145' ' ' MET . . . . . 0.6 ' O ' HG22 ' A' ' 148' ' ' VAL . 11.4 tmm? -61.53 -37.84 85.24 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 114.739 -1.119 . . . . 0.0 109.916 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 146' ' ' MET . . . . . 0.503 ' O ' ' N ' ' A' ' 148' ' ' VAL . 15.2 mmt -71.05 -40.94 71.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.278 178.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 147' ' ' THR . . . . . 0.532 ' C ' ' H ' ' A' ' 149' ' ' ARG . 5.7 m -45.35 -15.4 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.017 0.437 . . . . 0.0 110.804 -179.383 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 148' ' ' VAL . . . . . 0.6 HG22 ' O ' ' A' ' 145' ' ' MET . 10.6 m -66.14 11.98 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.855 -179.894 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 149' ' ' ARG . . . . . 0.532 ' H ' ' C ' ' A' ' 147' ' ' THR . 85.1 mtp180 . . . . . 0 C--O 1.22 -0.458 0 CA-C-O 117.885 -1.055 . . . . 0.0 110.273 179.553 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 221' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 234' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 48.2 t0 . . . . . 0 N--CA 1.493 1.716 0 N-CA-C 109.813 -0.439 . . . . 0.0 109.813 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -49.42 -46.11 47.18 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 120.271 -0.572 . . . . 0.0 109.846 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.425 ' OE1' ' O ' ' A' ' 82' ' ' GLU . 2.9 tm-20 -63.88 -33.39 75.58 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 120.779 -0.369 . . . . 0.0 110.554 179.431 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -68.45 -68.46 0.39 Allowed 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.045 -0.724 . . . . 0.0 109.045 178.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -44.55 -36.33 2.95 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.571 -0.452 . . . . 0.0 110.509 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 31.6 mt -62.97 -44.69 95.35 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.343 -0.543 . . . . 0.0 110.589 179.563 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 24.3 mtpp -62.6 -41.16 98.81 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.38 -0.528 . . . . 0.0 110.357 179.18 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 83.3 tt0 -72.3 -49.9 31.11 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.607 -0.437 . . . . 0.0 110.112 179.501 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -53.86 -46.46 71.29 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 120.285 -0.566 . . . . 0.0 110.075 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 69.9 t80 -60.32 -43.21 96.6 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.035 179.153 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 65.0 tttm -61.27 -32.12 71.94 Favored 'General case' 0 C--N 1.332 -0.193 0 C-N-CA 120.885 -0.326 . . . . 0.0 110.493 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 84.6 t -78.25 -31.96 16.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 C-N-CA 120.638 -0.425 . . . . 0.0 110.505 179.339 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -65.91 -35.55 80.92 Favored 'General case' 0 C--N 1.331 -0.199 0 C-N-CA 120.391 -0.524 . . . . 0.0 110.445 179.712 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.539 ' OD2' ' N ' ' A' ' 98' ' ' GLY . 10.7 t0 -76.14 75.68 2.98 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 120.307 -0.557 . . . . 0.0 111.05 -179.116 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 53.7 mtpt -51.8 -46.5 64.26 Favored 'General case' 0 C--N 1.333 -0.142 0 C-N-CA 120.331 -0.548 . . . . 0.0 110.01 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -71.4 -4.88 28.77 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.943 0.401 . . . . 0.0 109.93 179.81 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' GLN . . . . . 0.43 ' N ' ' OD1' ' A' ' 93' ' ' ASP . 35.4 tt0 50.84 29.1 4.09 Favored 'General case' 0 C--N 1.324 -0.512 0 C-N-CA 120.541 -0.464 . . . . 0.0 110.081 -179.798 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 51.4 p-10 -84.58 0.01 51.57 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 122.037 -0.414 . . . . 0.0 111.031 -179.36 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' GLY . . . . . 0.539 ' N ' ' OD2' ' A' ' 93' ' ' ASP . . . 86.86 -9.36 72.22 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.421 ' N ' ' OD2' ' A' ' 93' ' ' ASP . 33.0 m-85 -127.2 133.67 50.23 Favored 'General case' 0 N--CA 1.469 0.52 0 N-CA-C 110.185 -0.302 . . . . 0.0 110.185 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 20.7 mt -82.96 128.43 38.73 Favored 'Isoleucine or valine' 0 C--O 1.233 0.19 0 N-CA-C 109.035 -0.728 . . . . 0.0 109.035 179.102 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' SER . . . . . 0.424 ' CB ' HE22 ' A' ' 135' ' ' GLN . 6.9 p -95.85 153.06 17.94 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.637 -179.513 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -49.68 -39.67 37.33 Favored 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 120.333 -0.547 . . . . 0.0 109.901 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 67.7 m -61.54 -39.02 89.57 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-O 120.876 0.37 . . . . 0.0 110.613 179.084 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.41 ' O ' HG23 ' A' ' 108' ' ' VAL . 90.7 mt-10 -70.62 -42.08 71.39 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 120.583 -0.447 . . . . 0.0 110.396 179.509 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.772 ' C ' HD13 ' A' ' 105' ' ' LEU . 2.8 tm? -64.62 -44.02 91.87 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-O 121.443 0.639 . . . . 0.0 110.097 178.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.516 ' HE ' HD11 ' A' ' 110' ' ' ILE . 9.4 tpt180 -61.61 -46.83 88.15 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 120.236 -0.585 . . . . 0.0 109.973 179.693 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 11.8 t-160 -53.93 -39.79 66.17 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 120.486 -0.486 . . . . 0.0 109.829 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.41 HG23 ' O ' ' A' ' 104' ' ' GLU . 74.7 t -61.63 -42.88 95.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 C-N-CA 120.732 -0.387 . . . . 0.0 110.093 179.057 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 109' ' ' MET . . . . . 0.564 ' SD ' ' N ' ' A' ' 109' ' ' MET . 0.0 OUTLIER -58.95 -41.25 86.99 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.565 -0.454 . . . . 0.0 110.361 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.516 HD11 ' HE ' ' A' ' 106' ' ' ARG . 12.8 mm -64.18 -44.56 97.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 179.083 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 7.1 t-20 -59.25 -33.45 71.04 Favored 'General case' 0 C--N 1.331 -0.209 0 C-N-CA 120.712 -0.395 . . . . 0.0 109.943 179.725 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 8.6 mp -80.98 -4.36 54.79 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.868 179.328 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 82.66 20.54 61.52 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -113.04 129.42 56.51 Favored 'General case' 0 N--CA 1.467 0.392 0 N-CA-C 109.643 -0.503 . . . . 0.0 109.643 179.635 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 16.2 pttm -129.73 108.63 10.33 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-O 120.79 0.328 . . . . 0.0 110.239 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 5.0 mp -110.88 160.0 17.18 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 179.719 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 6.6 p -69.15 161.62 28.75 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.066 -0.653 . . . . 0.0 109.602 -179.838 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -62.06 -39.03 91.0 Favored 'General case' 0 C--N 1.331 -0.205 0 C-N-CA 120.421 -0.512 . . . . 0.0 110.669 179.79 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 77.3 mt-10 -56.34 -38.48 71.42 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.654 -0.418 . . . . 0.0 110.516 179.781 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -70.47 -46.55 63.56 Favored 'General case' 0 N--CA 1.448 -0.533 0 C-N-CA 120.465 -0.494 . . . . 0.0 110.111 179.294 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 70.2 t -63.28 -48.75 85.99 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 C-N-CA 120.321 -0.552 . . . . 0.0 110.186 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -56.0 -37.36 69.02 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.625 -0.43 . . . . 0.0 110.274 179.66 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 65.7 tp60 -67.54 -41.03 84.95 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 120.492 -0.483 . . . . 0.0 110.4 179.114 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 39.1 ttp -64.54 -44.53 90.52 Favored 'General case' 0 N--CA 1.449 -0.497 0 C-N-CA 120.794 -0.363 . . . . 0.0 110.424 -179.829 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 125' ' ' ILE . . . . . 0.431 HG22 ' OD2' ' A' ' 129' ' ' ASP . 7.9 mm -62.42 -48.59 87.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 121.064 0.459 . . . . 0.0 109.825 179.173 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 27.1 mmtp -63.75 -43.18 97.21 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.761 179.458 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 76.0 tt0 -68.81 -36.18 77.91 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.804 179.778 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -78.45 -29.08 46.72 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.033 -179.362 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 129' ' ' ASP . . . . . 0.431 ' OD2' HG22 ' A' ' 125' ' ' ILE . 82.6 m-20 -79.91 124.16 28.42 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 120.368 -0.533 . . . . 0.0 111.466 -179.132 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 2.3 pp -85.69 -17.27 36.47 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.247 179.559 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 38.7 p30 -113.97 14.35 18.42 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.988 -0.285 . . . . 0.0 111.53 -179.341 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 41.47 32.65 0.8 Allowed Glycine 0 CA--C 1.53 1.015 0 C-N-CA 120.317 -0.944 . . . . 0.0 111.219 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 133' ' ' ASP . . . . . 0.555 ' OD1' ' N ' ' A' ' 134' ' ' GLY . 48.5 p30 -75.42 -19.85 59.24 Favored 'General case' 0 N--CA 1.462 0.167 0 C-N-CA 120.49 -0.484 . . . . 0.0 110.391 179.816 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 134' ' ' GLY . . . . . 0.555 ' N ' ' OD1' ' A' ' 133' ' ' ASP . . . 96.66 -6.83 65.23 Favored Glycine 0 C--N 1.331 0.259 0 N-CA-C 110.336 -1.106 . . . . 0.0 110.336 179.538 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 135' ' ' GLN . . . . . 0.424 HE22 ' CB ' ' A' ' 101' ' ' SER . 87.2 mm-40 -117.38 131.37 56.79 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-O 120.544 0.212 . . . . 0.0 110.475 -178.854 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 86.4 t -80.82 118.56 28.79 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.241 0 N-CA-C 108.37 -0.974 . . . . 0.0 108.37 178.706 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 65.4 t30 -94.32 170.01 9.81 Favored 'General case' 0 N--CA 1.47 0.53 0 N-CA-C 110.042 -0.355 . . . . 0.0 110.042 179.83 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 138' ' ' TYR . . . . . 0.437 ' CE2' HG21 ' A' ' 142' ' ' VAL . 83.7 t80 -51.8 -49.29 63.05 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.576 -0.45 . . . . 0.0 111.01 -178.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 39.8 tp10 -56.98 -45.01 83.23 Favored 'General case' 0 CA--C 1.519 -0.218 0 O-C-N 122.054 -0.404 . . . . 0.0 111.115 -179.488 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -67.83 -38.81 83.7 Favored 'General case' 0 C--N 1.316 -0.891 0 C-N-CA 120.159 -0.617 . . . . 0.0 110.04 179.263 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 141' ' ' PHE . . . . . 0.429 ' O ' ' N ' ' A' ' 145' ' ' MET . 70.0 t80 -62.25 -50.77 70.4 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 108.776 -0.824 . . . . 0.0 108.776 179.071 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 142' ' ' VAL . . . . . 0.437 HG21 ' CE2' ' A' ' 138' ' ' TYR . 55.5 t -59.5 -47.52 90.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 179.422 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 3.2 tppp? -61.86 -48.62 79.69 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.725 179.034 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 55.5 ttp -63.17 -40.37 97.35 Favored 'General case' 0 CA--C 1.513 -0.464 0 CA-C-O 121.53 0.681 . . . . 0.0 109.326 178.599 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 145' ' ' MET . . . . . 0.429 ' N ' ' O ' ' A' ' 141' ' ' PHE . 28.1 tpp -63.95 -39.86 95.1 Favored 'General case' 0 N--CA 1.444 -0.761 0 CA-C-N 115.36 -0.836 . . . . 0.0 109.679 -179.395 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 86.5 mtp -62.15 -38.78 90.29 Favored 'General case' 0 N--CA 1.451 -0.402 0 N-CA-C 110.044 -0.354 . . . . 0.0 110.044 179.323 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 73.1 m -58.85 -72.54 0.1 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.682 -179.774 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 148' ' ' VAL . . . . . 0.454 HG23 ' N ' ' A' ' 149' ' ' ARG . 18.8 m -62.92 -41.29 92.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.188 179.629 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 149' ' ' ARG . . . . . 0.454 ' N ' HG23 ' A' ' 148' ' ' VAL . 1.1 mmp_? . . . . . 0 C--O 1.221 -0.433 0 CA-C-O 117.996 -1.002 . . . . 0.0 110.602 179.487 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 221' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 234' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.54 ' CG ' ' H ' ' A' ' 81' ' ' ALA . 4.2 p-10 . . . . . 0 N--CA 1.49 1.558 0 N-CA-C 109.972 -0.381 . . . . 0.0 109.972 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.54 ' H ' ' CG ' ' A' ' 80' ' ' ASP . . . -45.8 -44.89 14.41 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.759 -0.46 . . . . 0.0 109.759 -179.727 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 5.0 tm-20 -65.43 -38.98 91.52 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.677 -0.409 . . . . 0.0 110.688 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 83.2 tt0 -64.32 -70.6 0.21 Allowed 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 108.922 -0.77 . . . . 0.0 108.922 179.191 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -43.79 -35.13 1.78 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.477 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.538 HD13 ' SD ' ' A' ' 145' ' ' MET . 56.5 tp -61.9 -44.67 96.33 Favored 'General case' 0 C--N 1.332 -0.194 0 C-N-CA 120.383 -0.527 . . . . 0.0 110.26 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 53.3 mtpt -62.49 -40.53 96.99 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 120.416 -0.514 . . . . 0.0 110.349 179.753 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 81.6 tt0 -67.68 -50.81 55.83 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.606 -0.437 . . . . 0.0 109.943 179.441 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -52.72 -45.39 66.93 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 179.769 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 62.8 t80 -55.5 -45.32 77.08 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.787 -0.449 . . . . 0.0 109.787 179.539 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 28.4 mmtp -60.11 -32.8 71.33 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.769 179.701 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 97.3 t -68.55 -48.07 73.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 C-N-CA 120.483 -0.487 . . . . 0.0 110.716 179.489 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -63.29 -33.2 75.0 Favored 'General case' 0 N--CA 1.465 0.296 0 C-N-CA 120.787 -0.365 . . . . 0.0 110.167 179.65 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 39.3 t0 -71.77 64.38 0.47 Allowed 'General case' 0 C--N 1.324 -0.541 0 C-N-CA 120.681 -0.408 . . . . 0.0 110.677 -179.403 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 58.4 tttm -52.08 -48.31 64.76 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 120.383 -0.527 . . . . 0.0 109.947 -179.217 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' ASP . . . . . 0.414 ' OD2' ' OE2' ' A' ' 104' ' ' GLU . 7.5 m-20 -67.37 -7.94 28.76 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.045 0.45 . . . . 0.0 109.891 -179.833 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 99.0 mt-30 49.8 36.95 12.16 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.232 -179.597 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' ASN . . . . . 0.408 ' OD1' ' O ' ' A' ' 99' ' ' TYR . 35.9 p-10 -96.39 7.0 47.57 Favored 'General case' 0 N--CA 1.465 0.298 0 C-N-CA 121.073 -0.251 . . . . 0.0 111.317 -179.402 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 82.0 -9.0 58.68 Favored Glycine 0 CA--C 1.527 0.8 0 N-CA-C 111.356 -0.698 . . . . 0.0 111.356 179.427 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.408 ' O ' ' OD1' ' A' ' 97' ' ' ASN . 30.2 m-85 -128.39 135.26 49.3 Favored 'General case' 0 N--CA 1.469 0.485 0 N-CA-C 110.161 -0.311 . . . . 0.0 110.161 -179.83 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 31.9 mt -82.91 129.07 38.07 Favored 'Isoleucine or valine' 0 C--O 1.235 0.33 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 179.047 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 17.0 t -95.34 160.37 14.56 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.615 -179.246 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -56.87 -43.85 81.64 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 120.329 -0.548 . . . . 0.0 109.855 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 67.4 m -56.71 -39.02 73.14 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-O 120.931 0.395 . . . . 0.0 110.408 179.75 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.414 ' OE2' ' OD2' ' A' ' 95' ' ' ASP . 95.5 mt-10 -71.82 -35.72 70.0 Favored 'General case' 0 N--CA 1.444 -0.762 0 C-N-CA 120.753 -0.379 . . . . 0.0 110.564 179.48 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.574 HD13 ' O ' ' A' ' 105' ' ' LEU . 0.2 OUTLIER -60.37 -43.95 96.06 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-O 121.123 0.487 . . . . 0.0 110.124 -179.09 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.402 ' HG3' ' N ' ' A' ' 107' ' ' HIS . 8.9 ptm180 -71.0 -38.94 72.67 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 120.441 -0.504 . . . . 0.0 110.108 179.461 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 107' ' ' HIS . . . . . 0.402 ' N ' ' HG3' ' A' ' 106' ' ' ARG . 58.5 t-80 -58.02 -42.46 85.31 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 179.799 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.409 ' O ' HD13 ' A' ' 112' ' ' LEU . 78.5 t -65.05 -43.19 95.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.241 -0.436 . . . . 0.0 109.99 178.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 20.9 mmt -60.77 -40.98 94.55 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.59 -0.444 . . . . 0.0 110.068 -179.665 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 97.6 mt -65.07 -44.3 95.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 C-N-CA 120.648 -0.421 . . . . 0.0 109.952 179.112 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 25.0 t30 -60.43 -31.41 70.38 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.226 -0.443 . . . . 0.0 109.994 179.705 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.409 HD13 ' O ' ' A' ' 108' ' ' VAL . 8.1 mp -82.8 -1.86 52.93 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.008 179.479 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 84.49 20.39 58.59 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 75.1 mt-10 -115.72 130.35 56.82 Favored 'General case' 0 N--CA 1.466 0.338 0 N-CA-C 109.666 -0.494 . . . . 0.0 109.666 179.677 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 4.9 ptpp? -126.91 108.56 11.09 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-O 120.914 0.388 . . . . 0.0 110.071 179.778 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 55.5 mt -108.4 153.81 22.75 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 109.607 -0.516 . . . . 0.0 109.607 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 72.3 p -70.45 164.54 24.45 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -62.39 -37.96 87.76 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.348 -0.541 . . . . 0.0 110.507 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -57.66 -36.92 72.54 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 120.635 -0.426 . . . . 0.0 110.545 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 -71.94 -48.06 47.95 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.477 -0.489 . . . . 0.0 110.164 179.054 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 81.6 t -62.25 -48.3 89.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 C-N-CA 120.652 -0.419 . . . . 0.0 109.929 179.61 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 83.9 tt0 -58.02 -37.08 73.66 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.68 -0.408 . . . . 0.0 110.097 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 65.7 tt0 -68.96 -40.6 78.79 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 120.622 -0.431 . . . . 0.0 110.553 179.258 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 44.0 ttm -63.39 -43.96 96.06 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-O 120.743 0.306 . . . . 0.0 110.485 -179.677 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 125' ' ' ILE . . . . . 0.477 HG22 ' OD2' ' A' ' 129' ' ' ASP . 7.2 mm -62.72 -48.21 89.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 121.203 0.525 . . . . 0.0 109.772 179.493 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 42.6 mmtm -65.48 -44.32 87.49 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.972 179.601 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 36.4 tp10 -68.94 -36.25 77.73 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.725 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -78.9 -30.28 44.8 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.188 -179.187 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 129' ' ' ASP . . . . . 0.477 ' OD2' HG22 ' A' ' 125' ' ' ILE . 86.3 m-20 -76.28 119.49 20.25 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.206 0.527 . . . . 0.0 111.395 -179.208 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 6.7 tt -79.08 -24.72 43.31 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.239 179.839 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 131' ' ' ASP . . . . . 0.411 ' O ' ' C ' ' A' ' 132' ' ' GLY . 45.3 p-10 -113.82 15.42 18.64 Favored 'General case' 0 N--CA 1.469 0.486 0 N-CA-C 111.576 0.213 . . . . 0.0 111.576 -178.915 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 132' ' ' GLY . . . . . 0.411 ' C ' ' O ' ' A' ' 131' ' ' ASP . . . 39.3 39.28 1.04 Allowed Glycine 0 CA--C 1.53 0.989 0 N-CA-C 111.189 -0.764 . . . . 0.0 111.189 179.698 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 133' ' ' ASP . . . . . 0.483 ' OD1' ' N ' ' A' ' 135' ' ' GLN . 19.8 p30 -78.3 -17.49 56.53 Favored 'General case' 0 N--CA 1.461 0.121 0 O-C-N 122.504 -0.409 . . . . 0.0 110.399 -179.87 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 134' ' ' GLY . . . . . 0.444 ' N ' ' OD1' ' A' ' 133' ' ' ASP . . . 97.92 -10.24 64.05 Favored Glycine 0 C--N 1.331 0.254 0 N-CA-C 110.196 -1.162 . . . . 0.0 110.196 179.583 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 135' ' ' GLN . . . . . 0.483 ' N ' ' OD1' ' A' ' 133' ' ' ASP . 8.8 mt-30 -118.48 131.7 56.25 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-O 120.668 0.271 . . . . 0.0 110.313 -178.797 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 52.9 t -81.19 121.48 34.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 N-CA-C 108.485 -0.932 . . . . 0.0 108.485 178.65 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 65.4 t30 -98.42 166.36 11.4 Favored 'General case' 0 N--CA 1.469 0.489 0 N-CA-C 110.124 -0.324 . . . . 0.0 110.124 179.463 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 85.5 t80 -51.24 -44.16 61.65 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.788 -0.365 . . . . 0.0 111.096 -178.903 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -58.24 -45.76 87.17 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.041 0.448 . . . . 0.0 110.896 -179.317 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -69.29 -38.52 78.34 Favored 'General case' 0 C--N 1.317 -0.805 0 C-N-CA 120.062 -0.655 . . . . 0.0 110.035 179.623 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 36.9 t80 -63.37 -56.5 15.8 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.287 -0.565 . . . . 0.0 110.081 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 142' ' ' VAL . . . . . 0.526 HG13 ' N ' ' A' ' 143' ' ' LYS . 7.8 p -58.18 -43.82 86.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 -179.333 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 143' ' ' LYS . . . . . 0.526 ' N ' HG13 ' A' ' 142' ' ' VAL . 64.9 tttp -62.9 -50.0 72.57 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.048 179.123 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 51.9 ttp -61.84 -39.52 92.12 Favored 'General case' 0 CA--C 1.512 -0.516 0 CA-C-O 121.632 0.729 . . . . 0.0 109.323 178.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 145' ' ' MET . . . . . 0.538 ' SD ' HD13 ' A' ' 85' ' ' LEU . 34.3 ttm -61.57 -39.88 92.74 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.006 -0.997 . . . . 0.0 109.706 179.771 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 146' ' ' MET . . . . . 0.456 ' C ' ' N ' ' A' ' 148' ' ' VAL . 84.8 mmm -64.32 -40.46 95.94 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.8 -0.36 . . . . 0.0 110.043 179.439 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 25.4 m -48.61 -15.4 0.08 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.418 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 148' ' ' VAL . . . . . 0.489 HG12 ' O ' ' A' ' 148' ' ' VAL . 41.2 t -78.42 -1.73 4.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.368 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 18.7 mmm180 . . . . . 0 C--O 1.22 -0.461 0 CA-C-O 118.002 -0.999 . . . . 0.0 110.486 179.788 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 221' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 234' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 . . . . . 0 N--CA 1.493 1.687 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -51.18 -48.37 61.96 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 120.244 -0.582 . . . . 0.0 109.812 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.415 ' OE1' ' O ' ' A' ' 82' ' ' GLU . 2.5 tm-20 -61.29 -33.81 74.17 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 120.77 -0.372 . . . . 0.0 110.638 179.457 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 13.9 tm-20 -67.61 -68.54 0.38 Allowed 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 179.176 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -46.03 -46.21 16.49 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.588 -0.445 . . . . 0.0 110.43 -179.804 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 76.4 mt -62.41 -44.85 95.45 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.267 -0.573 . . . . 0.0 110.323 179.559 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 64.5 tttp -63.0 -41.87 99.7 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 120.452 -0.499 . . . . 0.0 110.268 179.255 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 47.0 tp10 -68.39 -52.37 33.72 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 120.67 -0.412 . . . . 0.0 109.992 179.715 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -52.28 -45.37 65.45 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.389 -0.524 . . . . 0.0 109.877 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 54.4 t80 -57.81 -45.01 86.71 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.575 -0.45 . . . . 0.0 110.052 179.068 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -64.85 -34.21 77.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.74 0.305 . . . . 0.0 110.795 179.603 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 59.9 t -80.74 -33.36 13.41 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 C-N-CA 120.642 -0.423 . . . . 0.0 110.679 179.603 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -60.47 -34.11 73.55 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 120.215 -0.594 . . . . 0.0 110.51 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.554 ' OD2' ' N ' ' A' ' 97' ' ' ASN . 37.1 t0 -69.52 87.3 0.47 Allowed 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 120.261 -0.575 . . . . 0.0 111.053 -178.914 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 84.0 tttt -55.88 -52.89 62.48 Favored 'General case' 0 C--N 1.332 -0.157 0 C-N-CA 120.105 -0.638 . . . . 0.0 110.435 -179.2 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' ASP . . . . . 0.429 ' OD1' ' OD1' ' A' ' 93' ' ' ASP . 50.8 p30 -75.74 0.64 17.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.002 0.43 . . . . 0.0 110.336 -179.665 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 47.5 tp60 48.28 35.47 5.61 Favored 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 120.512 -0.475 . . . . 0.0 110.225 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' ASN . . . . . 0.554 ' N ' ' OD2' ' A' ' 93' ' ' ASP . 43.6 p-10 -79.0 -13.48 59.76 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 120.649 -0.42 . . . . 0.0 110.99 -179.399 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 97.46 0.23 59.55 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 111.236 -0.746 . . . . 0.0 111.236 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 25.4 m-85 -135.33 142.61 45.82 Favored 'General case' 0 C--O 1.222 -0.35 0 CA-C-N 116.847 0.324 . . . . 0.0 110.305 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 4.1 mm -82.34 115.15 24.37 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.159 0 N-CA-C 108.758 -0.83 . . . . 0.0 108.758 178.69 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 25.6 m -89.19 155.14 19.6 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.591 -179.34 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -58.56 -45.52 88.8 Favored 'General case' 0 C--N 1.332 -0.178 0 C-N-CA 120.294 -0.562 . . . . 0.0 110.305 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 52.2 m -59.96 -42.74 94.74 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 120.709 -0.396 . . . . 0.0 110.593 179.503 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -65.16 -35.98 82.78 Favored 'General case' 0 N--CA 1.447 -0.61 0 C-N-CA 120.47 -0.492 . . . . 0.0 110.179 179.468 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 32.7 tp -67.17 -41.92 85.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.267 0.556 . . . . 0.0 110.427 178.809 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 83.5 mtp180 -61.53 -48.76 79.54 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 120.206 -0.598 . . . . 0.0 109.959 -179.723 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 53.9 t-80 -54.59 -43.08 71.82 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.582 -0.447 . . . . 0.0 109.817 179.622 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 69.7 t -64.89 -41.85 93.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 C-N-CA 120.615 -0.434 . . . . 0.0 110.127 178.528 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 40.7 mtt -58.67 -42.47 88.57 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.462 -0.495 . . . . 0.0 110.403 -179.469 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.404 ' N ' HD12 ' A' ' 110' ' ' ILE . 1.9 mp -66.97 -43.16 89.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-O 121.02 0.438 . . . . 0.0 109.967 178.412 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 111' ' ' ASN . . . . . 0.436 ' OD1' ' O ' ' A' ' 111' ' ' ASN . 31.6 t-20 -60.91 -33.09 72.6 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.252 -179.864 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -81.51 -0.33 41.42 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.127 179.367 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 84.71 10.94 78.28 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -106.94 121.9 45.36 Favored 'General case' 0 N--CA 1.465 0.301 0 N-CA-C 109.724 -0.473 . . . . 0.0 109.724 179.644 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 14.9 pttp -126.6 103.93 7.84 Favored 'General case' 0 N--CA 1.465 0.296 0 N-CA-C 110.019 -0.363 . . . . 0.0 110.019 -179.575 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 2.0 mp -108.38 156.72 19.1 Favored 'General case' 0 N--CA 1.466 0.329 0 N-CA-C 109.611 -0.514 . . . . 0.0 109.611 179.727 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 30.9 p -66.24 160.48 24.25 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 119.954 -0.698 . . . . 0.0 109.596 -179.436 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 90.9 m-20 -60.01 -34.94 74.03 Favored 'General case' 0 C--N 1.332 -0.17 0 C-N-CA 120.429 -0.508 . . . . 0.0 110.425 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -64.77 -34.89 79.42 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.721 -0.392 . . . . 0.0 110.352 179.328 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 60.0 mt-10 -69.78 -48.73 58.13 Favored 'General case' 0 N--CA 1.448 -0.56 0 C-N-CA 120.469 -0.492 . . . . 0.0 110.193 179.104 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 92.4 t -65.56 -47.11 87.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 C-N-CA 120.51 -0.476 . . . . 0.0 110.262 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 93.8 mt-10 -59.89 -40.87 90.19 Favored 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 120.476 -0.489 . . . . 0.0 110.444 179.834 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 78.1 mm-40 -67.47 -40.01 85.31 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 120.565 -0.454 . . . . 0.0 110.688 179.296 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 32.8 tpp -65.23 -42.84 93.02 Favored 'General case' 0 N--CA 1.448 -0.555 0 C-N-CA 120.72 -0.392 . . . . 0.0 110.299 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 125' ' ' ILE . . . . . 0.458 HG23 HG23 ' A' ' 136' ' ' VAL . 67.4 mt -64.2 -44.73 97.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-O 121.217 0.532 . . . . 0.0 110.017 179.039 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 36.2 mmtm -62.01 -41.97 98.65 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.406 179.506 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 81.9 tt0 -70.33 -36.01 73.98 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.946 0.403 . . . . 0.0 110.777 179.293 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -75.46 -30.72 60.05 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.981 -179.353 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 129' ' ' ASP . . . . . 0.4 ' OD1' ' OE1' ' A' ' 140' ' ' GLU . 4.8 m-20 -73.41 114.92 12.17 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.325 -0.55 . . . . 0.0 111.5 -178.567 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 10.7 tp -84.8 -26.17 27.68 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.218 179.62 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 131' ' ' ASP . . . . . 0.412 ' O ' ' C ' ' A' ' 132' ' ' GLY . 20.6 p30 -100.75 10.79 40.71 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.939 -0.304 . . . . 0.0 111.422 -179.084 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 132' ' ' GLY . . . . . 0.412 ' C ' ' O ' ' A' ' 131' ' ' ASP . . . 40.17 51.19 3.57 Favored Glycine 0 CA--C 1.528 0.891 0 C-N-CA 120.252 -0.975 . . . . 0.0 111.383 -179.894 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 133' ' ' ASP . . . . . 0.503 ' OD1' ' N ' ' A' ' 134' ' ' GLY . 41.9 p-10 -97.1 -15.91 20.75 Favored 'General case' 0 C--O 1.23 0.077 0 O-C-N 122.236 -0.567 . . . . 0.0 110.356 179.688 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 134' ' ' GLY . . . . . 0.503 ' N ' ' OD1' ' A' ' 133' ' ' ASP . . . 94.05 -11.0 71.41 Favored Glycine 0 C--N 1.33 0.225 0 N-CA-C 110.031 -1.228 . . . . 0.0 110.031 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 135' ' ' GLN . . . . . 0.444 ' H ' ' CG ' ' A' ' 133' ' ' ASP . 8.6 mt-30 -112.55 134.05 54.29 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-O 120.578 0.227 . . . . 0.0 110.509 -179.027 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 136' ' ' VAL . . . . . 0.458 HG23 HG23 ' A' ' 125' ' ' ILE . 48.5 t -81.01 110.11 16.13 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.255 0 N-CA-C 108.366 -0.976 . . . . 0.0 108.366 178.507 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 47.7 p30 -90.12 169.49 11.12 Favored 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 120.814 -0.354 . . . . 0.0 110.325 -179.655 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 79.1 t80 -56.61 -45.83 81.25 Favored 'General case' 0 CA--C 1.531 0.25 0 C-N-CA 120.606 -0.437 . . . . 0.0 111.055 -178.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 35.9 tp10 -56.87 -44.89 82.67 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-O 120.841 0.353 . . . . 0.0 111.056 -179.448 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 140' ' ' GLU . . . . . 0.4 ' OE1' ' OD1' ' A' ' 129' ' ' ASP . 29.6 mt-10 -72.82 -34.41 66.82 Favored 'General case' 0 C--N 1.313 -0.986 0 C-N-CA 120.251 -0.58 . . . . 0.0 109.899 178.9 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 71.5 t80 -64.21 -55.49 21.29 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 120.025 -0.67 . . . . 0.0 109.449 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 142' ' ' VAL . . . . . 0.535 HG13 ' N ' ' A' ' 143' ' ' LYS . 10.5 p -59.43 -43.88 91.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.062 -179.593 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 143' ' ' LYS . . . . . 0.535 ' N ' HG13 ' A' ' 142' ' ' VAL . 64.9 tttm -60.17 -50.77 72.35 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.533 -0.758 . . . . 0.0 109.729 179.187 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 16.3 tmm? -61.39 -37.05 82.02 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.515 0.674 . . . . 0.0 109.364 178.55 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 60.8 tpp -67.74 -40.38 84.16 Favored 'General case' 0 N--CA 1.443 -0.822 0 CA-C-N 115.33 -0.85 . . . . 0.0 109.854 -179.574 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 1.6 ttp -61.39 -34.08 74.74 Favored 'General case' 0 N--CA 1.452 -0.373 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 179.607 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 11.7 m -57.51 -72.13 0.09 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.6 -179.491 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 71.3 t -61.85 -45.41 98.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.281 179.713 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 24.0 mmm180 . . . . . 0 C--O 1.22 -0.449 0 CA-C-O 117.908 -1.044 . . . . 0.0 110.482 179.747 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 221' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 234' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 90.1 m-20 . . . . . 0 N--CA 1.491 1.603 0 N-CA-C 110.013 -0.366 . . . . 0.0 110.013 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -52.91 -48.41 67.27 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.189 -0.605 . . . . 0.0 109.822 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 42.1 tp10 -60.88 -29.91 69.84 Favored 'General case' 0 N--CA 1.451 -0.377 0 C-N-CA 120.745 -0.382 . . . . 0.0 110.37 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 83.1 tt0 -74.66 -64.34 1.06 Allowed 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.573 -0.899 . . . . 0.0 108.573 178.279 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 45.1 tt0 -46.07 -45.87 16.47 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.76 -0.376 . . . . 0.0 110.169 179.724 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.689 ' O ' HD23 ' A' ' 85' ' ' LEU . 4.2 tt -60.49 -45.95 91.88 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.11 -0.636 . . . . 0.0 110.382 -179.651 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 50.5 mtpt -59.74 -39.11 83.63 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 120.359 -0.536 . . . . 0.0 110.348 179.526 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 80.4 tt0 -68.3 -50.4 53.79 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.507 -0.477 . . . . 0.0 110.116 179.467 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -55.18 -49.93 70.64 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.472 -0.491 . . . . 0.0 109.848 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.532 ' CD2' HD11 ' A' ' 100' ' ' ILE . 37.7 t80 -56.27 -44.07 79.41 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.895 -0.409 . . . . 0.0 109.895 179.264 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 63.8 tttp -59.75 -33.16 71.31 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.678 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 77.1 t -69.58 -44.77 79.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 C-N-CA 120.618 -0.433 . . . . 0.0 110.843 179.601 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -64.82 -34.62 78.8 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.485 -0.486 . . . . 0.0 110.539 -179.645 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.517 ' OD2' ' N ' ' A' ' 98' ' ' GLY . 28.2 t0 -71.53 63.64 0.41 Allowed 'General case' 0 C--N 1.323 -0.567 0 C-N-CA 120.471 -0.492 . . . . 0.0 110.651 -179.25 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 57.6 tttp -47.29 -47.23 25.35 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 120.448 -0.501 . . . . 0.0 110.464 -179.201 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' ASP . . . . . 0.452 ' OD2' ' ND2' ' A' ' 97' ' ' ASN . 48.5 p-10 -74.91 -3.64 33.29 Favored 'General case' 0 C--N 1.325 -0.472 0 C-N-CA 120.837 -0.345 . . . . 0.0 110.451 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' GLN . . . . . 0.421 ' N ' ' O ' ' A' ' 93' ' ' ASP . 85.9 mt-30 48.73 38.29 11.37 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.157 -179.604 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' ASN . . . . . 0.452 ' ND2' ' OD2' ' A' ' 95' ' ' ASP . 53.0 p-10 -90.29 7.27 39.23 Favored 'General case' 0 N--CA 1.464 0.253 0 C-N-CA 120.741 -0.383 . . . . 0.0 111.312 -179.272 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' GLY . . . . . 0.517 ' N ' ' OD2' ' A' ' 93' ' ' ASP . . . 81.1 -6.12 64.24 Favored Glycine 0 CA--C 1.526 0.726 0 N-CA-C 111.373 -0.691 . . . . 0.0 111.373 179.755 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 41.2 m-85 -125.42 169.84 11.97 Favored 'General case' 0 N--CA 1.469 0.488 0 N-CA-C 109.798 -0.445 . . . . 0.0 109.798 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.532 HD11 ' CD2' ' A' ' 89' ' ' PHE . 78.4 mt -120.8 130.35 74.69 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.43 0 N-CA-C 109.029 -0.73 . . . . 0.0 109.029 178.673 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 86.5 p -104.92 155.23 19.13 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.551 -179.474 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -51.92 -39.16 58.67 Favored 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 120.392 -0.523 . . . . 0.0 109.896 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 80.6 p -60.63 -43.03 97.99 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 120.729 -0.388 . . . . 0.0 110.435 179.497 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -69.21 -40.35 78.03 Favored 'General case' 0 N--CA 1.443 -0.823 0 O-C-N 121.881 -0.512 . . . . 0.0 110.479 179.419 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 36.1 tp -65.0 -43.09 93.67 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 120.822 -0.351 . . . . 0.0 110.8 179.725 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.477 ' CG ' ' N ' ' A' ' 107' ' ' HIS . 12.2 ptt180 -61.05 -46.38 90.91 Favored 'General case' 0 C--N 1.323 -0.586 0 C-N-CA 120.168 -0.613 . . . . 0.0 109.956 -179.736 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 107' ' ' HIS . . . . . 0.477 ' N ' ' CG ' ' A' ' 106' ' ' ARG . 18.9 t-80 -57.96 -43.02 86.21 Favored 'General case' 0 N--CA 1.452 -0.364 0 N-CA-C 108.902 -0.777 . . . . 0.0 108.902 -178.628 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 69.5 t -64.44 -43.93 97.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.095 178.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 15.6 mmt -60.5 -41.97 95.41 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.558 -0.457 . . . . 0.0 110.244 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 96.9 mt -63.88 -44.1 97.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 N-CA-C 109.751 -0.463 . . . . 0.0 109.751 179.122 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 6.5 t-20 -63.19 -32.82 74.31 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.96 -0.385 . . . . 0.0 109.96 179.496 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 52.6 mt -76.17 -2.65 32.17 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.099 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 84.54 11.53 77.37 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.897 -0.881 . . . . 0.0 110.897 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -108.68 125.06 51.48 Favored 'General case' 0 N--CA 1.466 0.37 0 N-CA-C 109.866 -0.42 . . . . 0.0 109.866 179.817 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.519 ' H ' ' HD2' ' A' ' 115' ' ' LYS . 0.0 OUTLIER -125.69 102.94 7.56 Favored 'General case' 0 N--CA 1.468 0.464 0 N-CA-C 110.041 -0.355 . . . . 0.0 110.041 -179.141 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 4.2 mp -105.33 154.49 20.21 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.938 -0.393 . . . . 0.0 109.938 179.708 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 66.1 p -66.41 162.45 20.43 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.145 -0.622 . . . . 0.0 109.532 -179.759 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -62.0 -38.77 89.87 Favored 'General case' 0 C--O 1.233 0.197 0 C-N-CA 120.303 -0.559 . . . . 0.0 110.561 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -56.84 -34.95 68.29 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.63 -0.428 . . . . 0.0 110.576 179.813 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -73.51 -48.68 31.37 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 120.467 -0.493 . . . . 0.0 110.1 179.115 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 79.0 t -64.67 -44.22 96.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 C-N-CA 120.578 -0.449 . . . . 0.0 110.182 179.405 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 46.3 tp10 -63.88 -37.97 89.35 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.651 -0.419 . . . . 0.0 110.098 179.826 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 59.1 tt0 -71.31 -41.93 69.28 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.722 -0.391 . . . . 0.0 110.446 179.472 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 43.4 ttp -64.16 -42.33 96.78 Favored 'General case' 0 N--CA 1.45 -0.467 0 C-N-CA 120.846 -0.342 . . . . 0.0 110.272 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 4.8 mm -63.78 -45.55 96.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 121.24 0.543 . . . . 0.0 109.821 179.309 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 67.1 mmtt -66.27 -41.47 89.82 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.89 179.154 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 37.6 tp10 -72.91 -35.31 67.04 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.124 179.782 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -71.68 -32.15 67.55 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.264 -179.296 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 129' ' ' ASP . . . . . 0.552 ' OD2' ' N ' ' A' ' 133' ' ' ASP . 20.9 t70 -74.74 119.91 19.56 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.019 0.438 . . . . 0.0 111.621 -178.619 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 45.0 tp -86.6 -24.11 25.5 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.833 -0.622 . . . . 0.0 111.605 179.653 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 41.5 p-10 -103.42 10.05 37.49 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 121.002 -0.279 . . . . 0.0 111.464 -178.861 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 132' ' ' GLY . . . . . 0.476 ' CA ' ' OD2' ' A' ' 129' ' ' ASP . . . 44.49 29.22 1.74 Allowed Glycine 0 CA--C 1.531 1.092 0 C-N-CA 120.269 -0.967 . . . . 0.0 111.249 179.758 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 133' ' ' ASP . . . . . 0.552 ' N ' ' OD2' ' A' ' 129' ' ' ASP . 17.1 p-10 -73.65 -17.77 61.11 Favored 'General case' 0 C--O 1.231 0.131 0 CA-C-N 117.054 0.427 . . . . 0.0 110.428 179.586 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 98.43 -7.48 61.75 Favored Glycine 0 C--N 1.33 0.195 0 N-CA-C 110.26 -1.136 . . . . 0.0 110.26 179.833 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 135' ' ' GLN . . . . . 0.404 ' H ' ' CG ' ' A' ' 133' ' ' ASP . 3.4 mt-30 -124.6 141.53 52.03 Favored 'General case' 0 N--CA 1.452 -0.375 0 CA-C-O 120.541 0.21 . . . . 0.0 110.555 -178.75 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 22.7 t -80.65 121.56 34.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 N-CA-C 108.524 -0.917 . . . . 0.0 108.524 178.664 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 64.1 t30 -96.35 166.68 11.6 Favored 'General case' 0 N--CA 1.47 0.536 0 N-CA-C 110.187 -0.301 . . . . 0.0 110.187 179.376 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 43.6 t80 -46.82 -52.25 14.65 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 120.598 -0.441 . . . . 0.0 111.019 -178.89 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 83.6 tt0 -58.71 -44.4 90.35 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.656 -0.418 . . . . 0.0 111.299 -179.337 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 71.6 mt-10 -63.5 -41.01 98.54 Favored 'General case' 0 C--N 1.32 -0.68 0 C-N-CA 120.26 -0.576 . . . . 0.0 110.274 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 141' ' ' PHE . . . . . 0.476 ' O ' ' N ' ' A' ' 145' ' ' MET . 56.6 t80 -63.89 -48.95 74.61 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 178.92 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 56.8 t -58.87 -47.38 89.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 N-CA-C 109.127 -0.694 . . . . 0.0 109.127 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 62.6 tttm -63.82 -48.31 77.35 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.94 -0.573 . . . . 0.0 109.844 179.414 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 47.7 ttp -63.1 -43.28 98.91 Favored 'General case' 0 CA--C 1.515 -0.383 0 CA-C-O 121.463 0.649 . . . . 0.0 109.527 178.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 145' ' ' MET . . . . . 0.476 ' N ' ' O ' ' A' ' 141' ' ' PHE . 8.1 tmm? -62.62 -37.93 88.25 Favored 'General case' 0 C--N 1.314 -0.936 0 CA-C-N 115.112 -0.949 . . . . 0.0 110.125 -179.581 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 40.4 mtt -65.99 -40.6 91.34 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.159 179.273 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 26.0 m -56.69 -17.68 9.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.501 -179.518 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 148' ' ' VAL . . . . . 0.407 HG23 ' O ' ' A' ' 145' ' ' MET . 93.5 t -56.19 -47.0 81.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.271 -179.469 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 61.7 ttp180 . . . . . 0 C--N 1.323 -0.549 0 CA-C-O 118.01 -0.995 . . . . 0.0 110.473 179.212 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 221' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 234' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 86.7 m-20 . . . . . 0 N--CA 1.49 1.573 0 N-CA-C 110.109 -0.33 . . . . 0.0 110.109 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -53.33 -47.43 69.34 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 120.293 -0.563 . . . . 0.0 109.849 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.446 ' OE1' ' O ' ' A' ' 82' ' ' GLU . 3.7 tm-20 -63.37 -34.01 76.79 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 120.622 -0.431 . . . . 0.0 110.823 179.498 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -71.69 -68.08 0.48 Allowed 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 178.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 40.5 tp10 -47.3 -43.0 22.14 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 120.699 -0.4 . . . . 0.0 110.222 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 7.0 tt -62.94 -44.03 97.18 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.399 -0.52 . . . . 0.0 110.476 179.518 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -61.28 -35.82 78.36 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 120.55 -0.46 . . . . 0.0 109.898 179.701 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 82.4 tt0 -67.68 -50.57 57.02 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 109.724 -0.473 . . . . 0.0 109.724 179.438 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -52.76 -45.99 67.31 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 54.7 t80 -55.88 -43.09 76.86 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.664 -0.495 . . . . 0.0 109.664 179.419 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -62.62 -32.39 73.41 Favored 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 120.75 -0.38 . . . . 0.0 110.534 179.509 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 70.4 t -69.51 -48.52 65.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 C-N-CA 120.515 -0.474 . . . . 0.0 110.786 179.44 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -64.54 -32.29 73.87 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.498 -0.481 . . . . 0.0 110.129 179.771 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 63.6 t0 -76.18 57.78 1.16 Allowed 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 120.557 -0.457 . . . . 0.0 110.706 -179.391 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -52.21 -44.91 65.02 Favored 'General case' 0 C--O 1.234 0.255 0 C-N-CA 120.305 -0.558 . . . . 0.0 110.043 -179.584 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' ASP . . . . . 0.453 ' OD2' ' OE2' ' A' ' 104' ' ' GLU . 5.4 m-20 -65.94 -9.12 26.9 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.827 -0.435 . . . . 0.0 109.827 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 99.0 mm-40 53.31 20.14 1.81 Allowed 'General case' 0 C--N 1.324 -0.5 0 C-N-CA 120.493 -0.483 . . . . 0.0 110.292 -179.749 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 46.5 p-10 -77.55 -0.87 27.94 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 120.8 -0.36 . . . . 0.0 111.221 -179.185 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 83.79 -0.62 89.45 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 111.391 -0.683 . . . . 0.0 111.391 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.497 ' CE2' ' OD1' ' A' ' 137' ' ' ASN . 50.3 m-85 -135.03 139.6 44.94 Favored 'General case' 0 N--CA 1.465 0.296 0 O-C-N 122.695 -0.297 . . . . 0.0 110.331 -179.767 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.407 HD13 HG21 ' A' ' 100' ' ' ILE . 14.2 mt -88.22 131.3 36.12 Favored 'Isoleucine or valine' 0 C--O 1.238 0.493 0 N-CA-C 108.686 -0.857 . . . . 0.0 108.686 178.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 44.2 t -103.06 159.49 15.47 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.795 -179.172 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -52.16 -41.35 62.51 Favored 'General case' 0 C--O 1.234 0.255 0 C-N-CA 120.297 -0.561 . . . . 0.0 109.988 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 92.8 p -57.01 -39.86 75.55 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 120.76 -0.376 . . . . 0.0 110.363 179.753 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.453 ' OE2' ' OD2' ' A' ' 95' ' ' ASP . 92.1 mt-10 -73.17 -38.56 66.14 Favored 'General case' 0 N--CA 1.441 -0.875 0 C-N-CA 120.48 -0.488 . . . . 0.0 110.256 179.123 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.564 HD13 ' O ' ' A' ' 105' ' ' LEU . 0.2 OUTLIER -61.0 -45.8 93.36 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.487 -0.485 . . . . 0.0 110.756 -179.42 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.437 ' HG3' ' N ' ' A' ' 107' ' ' HIS . 41.1 ptt180 -69.15 -42.48 75.88 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 120.348 -0.541 . . . . 0.0 110.401 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 107' ' ' HIS . . . . . 0.437 ' N ' ' HG3' ' A' ' 106' ' ' ARG . 9.3 t-80 -56.86 -40.95 77.09 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 -179.707 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.417 HG23 ' O ' ' A' ' 104' ' ' GLU . 65.2 t -65.17 -43.03 95.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 C-N-CA 120.733 -0.387 . . . . 0.0 110.119 178.797 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 17.2 mmt -59.76 -40.8 89.39 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.61 -0.436 . . . . 0.0 110.125 -179.757 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 97.6 mt -65.47 -44.02 94.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 C-N-CA 120.366 -0.533 . . . . 0.0 109.988 178.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 16.4 t30 -58.96 -30.55 68.0 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.922 -0.399 . . . . 0.0 109.922 179.701 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.413 HD13 ' O ' ' A' ' 108' ' ' VAL . 8.6 mp -82.64 0.28 43.83 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.851 179.392 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 81.89 18.1 68.5 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 -179.846 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -119.82 136.95 54.27 Favored 'General case' 0 N--CA 1.466 0.366 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 179.814 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.417 ' C ' HD22 ' A' ' 116' ' ' LEU . 16.3 pttp -123.8 106.9 10.86 Favored 'General case' 0 N--CA 1.469 0.478 0 N-CA-C 110.086 -0.339 . . . . 0.0 110.086 -179.796 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.656 HD22 ' N ' ' A' ' 116' ' ' LEU . 3.4 mm? -90.59 153.19 20.52 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.85 -0.426 . . . . 0.0 109.85 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 17.0 p -70.68 158.28 36.51 Favored 'General case' 0 C--N 1.331 -0.197 0 C-N-CA 119.981 -0.688 . . . . 0.0 109.48 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -63.35 -41.41 98.85 Favored 'General case' 0 C--N 1.332 -0.188 0 C-N-CA 120.379 -0.528 . . . . 0.0 110.575 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -68.06 -29.97 69.06 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.796 -0.362 . . . . 0.0 110.609 179.669 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 33.8 tp10 -73.81 -48.14 33.52 Favored 'General case' 0 N--CA 1.449 -0.523 0 C-N-CA 120.607 -0.437 . . . . 0.0 110.147 179.384 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 71.1 t -62.42 -47.37 93.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 N-CA-C 109.619 -0.511 . . . . 0.0 109.619 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 75.7 mm-40 -58.95 -35.82 73.78 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.563 -0.455 . . . . 0.0 109.971 179.261 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 48.6 tp60 -62.15 -48.05 81.81 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.46 -0.496 . . . . 0.0 110.419 179.451 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 124' ' ' MET . . . . . 0.44 ' O ' ' N ' ' A' ' 128' ' ' ALA . 58.4 mtm -65.11 -39.8 93.62 Favored 'General case' 0 N--CA 1.449 -0.483 0 C-N-CA 120.803 -0.359 . . . . 0.0 110.245 179.313 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 4.3 mm -63.02 -46.22 96.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 C-N-CA 120.375 -0.53 . . . . 0.0 109.64 179.266 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -69.42 -39.17 78.04 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.893 178.78 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 34.6 tp10 -73.93 -35.99 64.64 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.993 -0.548 . . . . 0.0 111.243 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.44 ' N ' ' O ' ' A' ' 124' ' ' MET . . . -75.46 -28.16 59.17 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.283 -179.049 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 129' ' ' ASP . . . . . 0.436 ' OD1' ' OD1' ' A' ' 133' ' ' ASP . 38.4 t0 -72.57 111.89 8.14 Favored 'General case' 0 C--N 1.322 -0.619 0 C-N-CA 120.462 -0.495 . . . . 0.0 111.98 -178.867 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.554 ' H ' ' CD ' ' A' ' 140' ' ' GLU . 8.7 tp -88.43 -23.66 23.24 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.196 179.418 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 31.9 m-20 -89.44 2.26 54.74 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.882 -0.327 . . . . 0.0 111.276 -178.724 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 58.21 5.03 2.08 Favored Glycine 0 CA--C 1.529 0.966 0 C-N-CA 120.28 -0.962 . . . . 0.0 111.111 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 133' ' ' ASP . . . . . 0.436 ' OD1' ' OD1' ' A' ' 129' ' ' ASP . 35.0 p-10 -67.89 -16.9 64.3 Favored 'General case' 0 N--CA 1.461 0.121 0 CA-C-N 117.215 0.508 . . . . 0.0 110.39 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 87.98 7.19 74.48 Favored Glycine 0 C--N 1.33 0.198 0 N-CA-C 110.169 -1.172 . . . . 0.0 110.169 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -121.67 143.74 49.17 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 110.423 -0.214 . . . . 0.0 110.423 -179.079 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 14.6 t -83.56 115.41 25.82 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.305 0 N-CA-C 108.619 -0.882 . . . . 0.0 108.619 178.717 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 137' ' ' ASN . . . . . 0.497 ' OD1' ' CE2' ' A' ' 99' ' ' TYR . 62.0 t30 -96.65 167.34 11.18 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 120.884 -0.326 . . . . 0.0 110.266 179.78 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 77.7 t80 -48.07 -52.33 20.7 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 120.791 -0.363 . . . . 0.0 110.62 -178.754 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 80.0 tt0 -58.94 -44.16 91.32 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.642 -0.423 . . . . 0.0 111.175 -179.376 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 140' ' ' GLU . . . . . 0.554 ' CD ' ' H ' ' A' ' 130' ' ' LEU . 75.7 mt-10 -65.7 -41.02 92.84 Favored 'General case' 0 C--N 1.32 -0.714 0 C-N-CA 120.134 -0.626 . . . . 0.0 110.389 179.814 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 58.4 t80 -63.67 -50.71 68.19 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.224 -0.591 . . . . 0.0 109.528 179.303 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 53.6 t -59.38 -45.44 93.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 115.927 -0.579 . . . . 0.0 109.445 179.681 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 26.2 tptp -61.23 -49.92 75.16 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.878 179.429 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 16.2 tmm? -62.34 -39.38 92.93 Favored 'General case' 0 CA--C 1.512 -0.493 0 CA-C-O 121.41 0.624 . . . . 0.0 109.462 178.606 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 33.6 ttm -67.44 -40.43 85.46 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.256 -0.883 . . . . 0.0 109.944 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 2.9 mmt -62.09 -36.26 81.16 Favored 'General case' 0 N--CA 1.45 -0.444 0 N-CA-C 109.964 -0.384 . . . . 0.0 109.964 179.438 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 96.5 m -57.78 -72.63 0.08 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.357 -179.459 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 32.2 m -66.76 -14.1 17.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.388 179.605 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 83.4 mtp180 . . . . . 0 C--O 1.223 -0.328 0 CA-C-O 117.903 -1.046 . . . . 0.0 110.245 179.919 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 221' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 234' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 67.1 t0 . . . . . 0 N--CA 1.493 1.699 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -48.71 -42.64 35.7 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.278 -0.569 . . . . 0.0 109.826 -179.848 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.522 ' OE1' ' NZ ' ' A' ' 86' ' ' LYS . 3.9 tm-20 -68.98 -41.04 78.4 Favored 'General case' 0 C--N 1.332 -0.183 0 C-N-CA 120.591 -0.443 . . . . 0.0 110.56 179.192 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 81.3 tt0 -53.24 -70.29 0.09 Allowed 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 108.15 -1.055 . . . . 0.0 108.15 178.801 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -45.24 -33.47 2.37 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.677 -0.409 . . . . 0.0 110.261 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.661 ' O ' HD23 ' A' ' 85' ' ' LEU . 2.4 tt -61.19 -45.05 96.19 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 120.243 -0.583 . . . . 0.0 110.304 -179.834 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.522 ' NZ ' ' OE1' ' A' ' 82' ' ' GLU . 58.5 mttp -63.08 -40.12 96.73 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 120.37 -0.532 . . . . 0.0 110.361 179.016 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 82.5 tt0 -68.76 -51.95 35.74 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.592 -0.443 . . . . 0.0 109.956 179.679 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -53.16 -45.1 68.31 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 120.508 -0.477 . . . . 0.0 109.735 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 70.3 t80 -58.2 -43.11 87.43 Favored 'General case' 0 N--CA 1.453 -0.28 0 C-N-CA 120.87 -0.332 . . . . 0.0 110.114 179.117 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -64.23 -32.56 74.2 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.897 -0.321 . . . . 0.0 110.655 179.468 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 97.2 t -81.93 -25.88 9.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 C-N-CA 120.678 -0.409 . . . . 0.0 110.678 179.544 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -64.64 -33.67 76.48 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.491 -0.484 . . . . 0.0 110.511 179.615 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.549 ' OD2' ' N ' ' A' ' 98' ' ' GLY . 21.6 t0 -82.59 75.26 9.5 Favored 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 120.382 -0.527 . . . . 0.0 110.902 -178.945 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 64.6 tttp -47.27 -42.91 21.62 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.433 -0.507 . . . . 0.0 109.857 -179.71 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -71.89 -7.47 48.69 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.894 -0.322 . . . . 0.0 110.23 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' GLN . . . . . 0.533 ' N ' ' O ' ' A' ' 93' ' ' ASP . 12.0 mm-40 54.72 32.84 18.21 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.248 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 9.3 m120 -86.28 4.38 39.2 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.614 -0.435 . . . . 0.0 111.032 -179.564 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' GLY . . . . . 0.549 ' N ' ' OD2' ' A' ' 93' ' ' ASP . . . 76.3 -8.17 26.79 Favored Glycine 0 CA--C 1.528 0.845 0 N-CA-C 110.917 -0.873 . . . . 0.0 110.917 -179.558 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 28.0 m-85 -127.15 135.66 51.02 Favored 'General case' 0 N--CA 1.469 0.505 0 O-C-N 122.582 -0.363 . . . . 0.0 110.102 179.675 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 4.3 mt -83.09 122.99 38.23 Favored 'Isoleucine or valine' 0 C--O 1.238 0.467 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 179.161 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 38.5 t -100.29 165.48 11.45 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.67 -179.275 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -54.38 -44.96 72.7 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.299 -0.561 . . . . 0.0 109.937 179.657 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 72.7 m -57.38 -39.87 76.98 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.808 -0.357 . . . . 0.0 110.45 179.568 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.421 ' OE2' ' OD1' ' A' ' 93' ' ' ASP . 77.3 mt-10 -74.13 -39.18 63.49 Favored 'General case' 0 N--CA 1.44 -0.93 0 O-C-N 121.899 -0.501 . . . . 0.0 110.165 179.436 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.557 HD13 ' O ' ' A' ' 105' ' ' LEU . 0.2 OUTLIER -59.84 -46.82 88.07 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 120.534 -0.466 . . . . 0.0 110.295 -179.591 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.4 ' HG3' ' N ' ' A' ' 107' ' ' HIS . 16.9 ptm180 -69.99 -41.3 74.57 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 120.304 -0.558 . . . . 0.0 110.289 179.656 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 107' ' ' HIS . . . . . 0.4 ' N ' ' HG3' ' A' ' 106' ' ' ARG . 11.7 t-80 -57.0 -45.18 83.18 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 -179.757 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 73.9 t -64.62 -42.48 95.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 C-N-CA 120.635 -0.426 . . . . 0.0 110.263 178.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 7.4 mmt -61.69 -42.4 98.87 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 120.579 -0.448 . . . . 0.0 110.08 -179.645 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 96.7 mt -64.84 -44.51 96.31 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 C-N-CA 120.461 -0.496 . . . . 0.0 109.984 179.186 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' ASN . . . . . 0.401 ' OD1' ' O ' ' A' ' 111' ' ' ASN . 20.7 t-20 -62.57 -32.36 73.33 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 179.556 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 48.7 mt -78.69 -1.06 32.61 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.043 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 83.12 15.25 72.66 Favored Glycine 0 CA--C 1.525 0.717 0 N-CA-C 110.88 -0.888 . . . . 0.0 110.88 -179.828 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 73.2 mt-10 -116.53 133.25 56.23 Favored 'General case' 0 N--CA 1.466 0.344 0 N-CA-C 109.928 -0.397 . . . . 0.0 109.928 179.662 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.54 112.98 9.97 Favored 'General case' 0 N--CA 1.467 0.421 0 N-CA-C 110.034 -0.358 . . . . 0.0 110.034 -179.883 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.905 HD22 ' N ' ' A' ' 116' ' ' LEU . 0.8 OUTLIER -103.14 158.31 16.39 Favored 'General case' 0 N--CA 1.466 0.373 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 -179.857 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 117' ' ' THR . . . . . 0.417 HG22 ' N ' ' A' ' 118' ' ' ASP . 12.2 m -63.26 161.8 13.19 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.112 -0.635 . . . . 0.0 109.415 -179.389 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 118' ' ' ASP . . . . . 0.417 ' N ' HG22 ' A' ' 117' ' ' THR . 47.5 t0 -61.46 -37.56 84.04 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 120.453 -0.499 . . . . 0.0 110.467 -179.767 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -67.09 -30.95 71.13 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.736 -0.386 . . . . 0.0 110.608 179.301 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 56.0 mt-10 -70.58 -46.35 63.62 Favored 'General case' 0 N--CA 1.452 -0.334 0 C-N-CA 120.537 -0.465 . . . . 0.0 110.148 179.298 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 85.8 t -62.38 -48.19 89.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 C-N-CA 120.621 -0.432 . . . . 0.0 110.235 179.685 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -59.17 -39.41 82.39 Favored 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 120.665 -0.414 . . . . 0.0 110.125 179.665 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 -63.92 -47.75 79.31 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.576 -0.45 . . . . 0.0 110.59 179.539 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 124' ' ' MET . . . . . 0.436 ' O ' ' N ' ' A' ' 128' ' ' ALA . 74.7 mtm -64.16 -41.92 96.94 Favored 'General case' 0 N--CA 1.449 -0.487 0 C-N-CA 120.679 -0.408 . . . . 0.0 110.224 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 4.4 mm -64.16 -45.28 96.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 C-N-CA 120.484 -0.486 . . . . 0.0 109.731 179.314 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 27.4 mmtp -68.33 -42.22 79.64 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.788 179.201 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 79.3 tt0 -72.82 -36.33 67.49 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.992 179.791 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.436 ' N ' ' O ' ' A' ' 124' ' ' MET . . . -71.73 -32.63 67.96 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.051 -179.425 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 129' ' ' ASP . . . . . 0.452 ' OD1' ' OD1' ' A' ' 133' ' ' ASP . 32.0 t0 -68.65 109.48 3.81 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.012 0.434 . . . . 0.0 111.769 -178.72 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.545 ' N ' ' OE2' ' A' ' 140' ' ' GLU . 48.3 tp -89.94 -30.41 17.86 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.558 179.229 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 131' ' ' ASP . . . . . 0.464 ' OD2' ' ND2' ' A' ' 137' ' ' ASN . 39.9 m-20 -78.39 -11.46 59.95 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 120.862 -0.335 . . . . 0.0 111.519 -178.425 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 70.03 25.18 75.93 Favored Glycine 0 CA--C 1.529 0.91 0 C-N-CA 120.328 -0.939 . . . . 0.0 111.366 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 133' ' ' ASP . . . . . 0.452 ' OD1' ' OD1' ' A' ' 129' ' ' ASP . 41.3 p-10 -94.56 -15.93 23.68 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 117.111 0.455 . . . . 0.0 110.246 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 91.59 0.97 71.86 Favored Glycine 0 C--N 1.33 0.231 0 N-CA-C 110.386 -1.086 . . . . 0.0 110.386 179.851 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 13.7 mt-30 -117.04 138.55 51.52 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.577 0.227 . . . . 0.0 110.564 -179.022 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 40.7 t -86.72 109.48 19.07 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.305 0 N-CA-C 108.419 -0.956 . . . . 0.0 108.419 178.328 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 137' ' ' ASN . . . . . 0.464 ' ND2' ' OD2' ' A' ' 131' ' ' ASP . 55.0 p30 -95.59 175.95 6.35 Favored 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 120.896 -0.322 . . . . 0.0 110.186 -179.909 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 138' ' ' TYR . . . . . 0.433 ' O ' HG12 ' A' ' 142' ' ' VAL . 63.1 t80 -51.7 -43.32 62.73 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.618 -0.433 . . . . 0.0 110.977 -179.155 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 14.1 tm-20 -60.33 -49.28 78.21 Favored 'General case' 0 N--CA 1.466 0.327 0 C-N-CA 120.64 -0.424 . . . . 0.0 111.019 -179.37 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 140' ' ' GLU . . . . . 0.545 ' OE2' ' N ' ' A' ' 130' ' ' LEU . 39.3 mt-10 -68.16 -39.42 82.59 Favored 'General case' 0 C--N 1.313 -0.99 0 C-N-CA 120.129 -0.628 . . . . 0.0 109.849 179.569 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 72.8 t80 -63.54 -55.14 26.25 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.131 -0.628 . . . . 0.0 110.188 -179.416 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 142' ' ' VAL . . . . . 0.554 HG13 ' N ' ' A' ' 143' ' ' LYS . 8.2 p -59.09 -44.78 92.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.65 -179.432 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 143' ' ' LYS . . . . . 0.554 ' N ' HG13 ' A' ' 142' ' ' VAL . 88.5 tttt -61.43 -50.08 74.25 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.704 179.348 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 44.0 ttp -61.33 -39.54 90.92 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.423 0.63 . . . . 0.0 109.335 178.833 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 145' ' ' MET . . . . . 0.457 ' O ' ' N ' ' A' ' 149' ' ' ARG . 36.8 ttm -64.51 -39.53 93.95 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.127 -0.942 . . . . 0.0 109.966 -179.767 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 89.5 mtp -63.17 -38.83 92.72 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 110.016 -0.365 . . . . 0.0 110.016 179.369 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 25.3 m -60.72 -72.14 0.12 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.403 -179.711 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 84.7 t -64.5 -45.35 95.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.517 179.606 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 149' ' ' ARG . . . . . 0.457 ' N ' ' O ' ' A' ' 145' ' ' MET . 78.1 ttt180 . . . . . 0 C--O 1.22 -0.466 0 CA-C-O 117.967 -1.016 . . . . 0.0 110.12 179.752 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 221' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 234' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 89.1 m-20 . . . . . 0 N--CA 1.491 1.618 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -56.07 -49.53 73.51 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.372 -0.531 . . . . 0.0 109.868 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -65.06 -36.24 83.72 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.69 -0.404 . . . . 0.0 110.714 179.626 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 80.4 tt0 -66.67 -69.31 0.31 Allowed 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 178.86 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 51.8 tp10 -46.94 -38.12 10.08 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.716 -0.394 . . . . 0.0 110.367 -179.774 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 54.1 tp -60.9 -46.34 91.04 Favored 'General case' 0 C--N 1.331 -0.208 0 C-N-CA 120.274 -0.571 . . . . 0.0 110.36 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 15.5 mmmt -62.04 -38.97 90.76 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.516 -0.474 . . . . 0.0 110.326 179.647 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 47.0 tp10 -67.89 -52.57 34.95 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.557 -0.457 . . . . 0.0 110.114 179.626 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -52.02 -44.21 64.06 Favored 'General case' 0 N--CA 1.455 -0.225 0 N-CA-C 109.736 -0.468 . . . . 0.0 109.736 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 78.8 t80 -57.35 -45.89 83.89 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 179.46 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 65.0 mmtt -60.55 -33.46 72.71 Favored 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 120.779 -0.368 . . . . 0.0 110.695 179.252 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 97.1 t -72.57 -41.72 63.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 120.921 0.391 . . . . 0.0 110.478 179.139 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -60.21 -35.99 76.66 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.644 -0.422 . . . . 0.0 110.333 -179.458 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 38.1 t0 -70.59 77.89 0.59 Allowed 'General case' 0 C--N 1.324 -0.5 0 C-N-CA 120.428 -0.509 . . . . 0.0 110.951 -178.841 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -54.63 -50.19 68.71 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 120.361 -0.535 . . . . 0.0 109.986 -179.727 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' ASP . . . . . 0.404 ' OD2' ' OE2' ' A' ' 104' ' ' GLU . 4.6 m-20 -73.03 -0.64 14.45 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.953 0.406 . . . . 0.0 110.112 -179.854 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 49.4 tp60 46.2 33.67 1.86 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.01 -179.805 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 47.4 p-10 -88.62 -5.32 58.24 Favored 'General case' 0 N--CA 1.464 0.268 0 C-N-CA 120.719 -0.392 . . . . 0.0 111.322 -179.014 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 95.42 -13.78 66.1 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 12.9 m-85 -122.68 132.66 54.36 Favored 'General case' 0 N--CA 1.47 0.529 0 O-C-N 122.75 -0.264 . . . . 0.0 110.606 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 16.1 mt -82.11 125.6 39.81 Favored 'Isoleucine or valine' 0 C--O 1.232 0.169 0 N-CA-C 108.872 -0.788 . . . . 0.0 108.872 179.195 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 4.2 m -93.65 151.62 19.54 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.489 -179.358 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.458 ' HB1' HH12 ' A' ' 106' ' ' ARG . . . -51.26 -40.32 58.62 Favored 'General case' 0 C--N 1.331 -0.212 0 C-N-CA 120.364 -0.534 . . . . 0.0 109.916 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 69.2 m -60.95 -40.74 94.46 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 120.82 -0.352 . . . . 0.0 110.589 179.446 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.404 ' OE2' ' OD2' ' A' ' 95' ' ' ASP . 79.5 mt-10 -64.64 -39.31 93.47 Favored 'General case' 0 N--CA 1.442 -0.832 0 C-N-CA 120.591 -0.444 . . . . 0.0 110.339 179.626 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.594 HD13 ' O ' ' A' ' 105' ' ' LEU . 0.2 OUTLIER -63.59 -40.67 97.53 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-O 121.229 0.538 . . . . 0.0 109.907 179.824 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.458 HH12 ' HB1' ' A' ' 102' ' ' ALA . 93.4 mtm-85 -61.9 -47.23 85.88 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 120.259 -0.576 . . . . 0.0 110.243 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 25.0 m170 -53.53 -42.56 67.54 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.771 -0.455 . . . . 0.0 109.771 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 90.4 t -64.49 -42.11 94.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.305 -0.407 . . . . 0.0 109.991 179.253 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 19.0 mmt -59.28 -43.7 92.51 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.603 -0.439 . . . . 0.0 110.179 -179.415 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.4 ' N ' HD12 ' A' ' 110' ' ' ILE . 2.0 mp -66.85 -42.79 89.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 C-N-CA 120.548 -0.461 . . . . 0.0 109.823 178.822 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 14.1 t-20 -58.6 -34.17 70.82 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.306 -0.406 . . . . 0.0 109.925 -179.78 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 8.4 mp -81.1 -2.25 47.57 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.063 179.308 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 82.3 18.91 65.63 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.954 -0.859 . . . . 0.0 110.954 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -119.79 135.21 54.95 Favored 'General case' 0 N--CA 1.468 0.45 0 N-CA-C 109.639 -0.504 . . . . 0.0 109.639 179.668 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.424 ' C ' HD22 ' A' ' 116' ' ' LEU . 18.0 pttp -137.76 116.28 12.05 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-O 120.77 0.319 . . . . 0.0 110.335 -179.679 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.898 HD22 ' N ' ' A' ' 116' ' ' LEU . 0.9 OUTLIER -105.9 157.57 17.39 Favored 'General case' 0 N--CA 1.467 0.381 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 -179.972 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 69.1 p -65.47 162.97 16.81 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 120.178 -0.609 . . . . 0.0 109.461 -179.644 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 91.5 m-20 -61.49 -40.46 94.62 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.408 -0.517 . . . . 0.0 110.562 -179.725 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 119' ' ' GLU . . . . . 0.404 ' OE1' ' N ' ' A' ' 119' ' ' GLU . 56.5 mp0 -59.16 -36.61 75.59 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.687 -0.405 . . . . 0.0 110.692 179.877 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -71.12 -48.28 53.13 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.449 -0.5 . . . . 0.0 110.348 179.159 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 99.4 t -63.36 -47.68 90.81 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.272 0 C-N-CA 120.634 -0.426 . . . . 0.0 110.191 179.71 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -60.48 -40.95 93.16 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.717 -0.393 . . . . 0.0 110.238 179.46 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 48.5 tp60 -66.3 -43.49 86.14 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 120.653 -0.419 . . . . 0.0 110.453 179.495 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 43.3 ttp -60.73 -41.84 96.12 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-O 120.782 0.325 . . . . 0.0 110.536 -179.704 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 125' ' ' ILE . . . . . 0.447 ' O ' ' OD1' ' A' ' 129' ' ' ASP . 6.7 mm -63.2 -44.55 99.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 N-CA-C 109.577 -0.527 . . . . 0.0 109.577 179.784 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -63.74 -43.4 96.57 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.046 179.63 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -68.39 -37.44 80.37 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.103 179.695 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -76.16 -29.66 57.81 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.307 -179.295 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 129' ' ' ASP . . . . . 0.447 ' OD1' ' O ' ' A' ' 125' ' ' ILE . 2.9 m-20 -74.32 113.33 11.41 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.17 0.509 . . . . 0.0 111.337 -179.067 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 9.5 tp -80.17 -28.31 38.81 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.405 179.804 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 39.2 p-10 -113.26 12.22 18.88 Favored 'General case' 0 N--CA 1.466 0.367 0 N-CA-C 111.729 0.27 . . . . 0.0 111.729 -179.13 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 41.04 39.64 2.1 Favored Glycine 0 CA--C 1.53 1.026 0 C-N-CA 120.484 -0.865 . . . . 0.0 111.379 179.64 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 133' ' ' ASP . . . . . 0.509 ' OD1' ' N ' ' A' ' 134' ' ' GLY . 49.1 p30 -71.12 -16.19 62.55 Favored 'General case' 0 C--O 1.228 -0.049 0 O-C-N 122.463 -0.433 . . . . 0.0 110.268 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 134' ' ' GLY . . . . . 0.509 ' N ' ' OD1' ' A' ' 133' ' ' ASP . . . 105.48 -14.0 47.05 Favored Glycine 0 C--N 1.332 0.358 0 N-CA-C 110.311 -1.116 . . . . 0.0 110.311 179.602 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 135' ' ' GLN . . . . . 0.478 ' N ' ' OD1' ' A' ' 133' ' ' ASP . 28.2 mp0 -132.23 147.91 52.43 Favored 'General case' 0 N--CA 1.448 -0.539 0 CA-C-O 120.743 0.306 . . . . 0.0 110.699 -178.752 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 43.8 t -81.55 119.95 32.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 N-CA-C 108.209 -1.034 . . . . 0.0 108.209 178.69 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 34.7 p30 -95.92 173.8 7.26 Favored 'General case' 0 N--CA 1.467 0.418 0 N-CA-C 110.11 -0.33 . . . . 0.0 110.11 179.776 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 84.6 t80 -53.27 -48.16 68.53 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.461 -0.496 . . . . 0.0 111.149 -178.798 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 80.4 tt0 -57.21 -45.25 83.96 Favored 'General case' 0 C--N 1.333 -0.11 0 CA-C-O 120.998 0.428 . . . . 0.0 110.859 -179.535 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 52.7 mt-10 -70.52 -37.32 74.09 Favored 'General case' 0 C--N 1.319 -0.724 0 C-N-CA 120.063 -0.655 . . . . 0.0 109.674 179.118 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 79.9 t80 -62.6 -56.88 13.79 Favored 'General case' 0 N--CA 1.454 -0.248 0 C-N-CA 120.171 -0.612 . . . . 0.0 109.925 -179.72 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 142' ' ' VAL . . . . . 0.547 HG13 ' N ' ' A' ' 143' ' ' LYS . 11.8 p -57.35 -44.71 84.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 N-CA-C 109.473 -0.565 . . . . 0.0 109.473 -179.595 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 143' ' ' LYS . . . . . 0.547 ' N ' HG13 ' A' ' 142' ' ' VAL . 65.8 tttm -61.94 -49.14 77.32 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.638 179.201 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 60.0 ttp -62.77 -39.62 94.73 Favored 'General case' 0 CA--C 1.513 -0.445 0 CA-C-O 121.676 0.75 . . . . 0.0 109.353 178.872 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 145' ' ' MET . . . . . 0.42 ' O ' HG23 ' A' ' 148' ' ' VAL . 34.9 ttm -62.3 -40.24 95.65 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.103 -0.953 . . . . 0.0 110.064 179.753 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 74.9 mtp -66.07 -41.48 90.7 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.832 -0.347 . . . . 0.0 110.203 179.337 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 25.0 m -54.37 -17.89 3.52 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.579 -179.585 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 148' ' ' VAL . . . . . 0.42 HG23 ' O ' ' A' ' 145' ' ' MET . 98.4 t -55.59 -47.19 79.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.321 -179.326 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 62.1 ttp180 . . . . . 0 C--O 1.218 -0.565 0 CA-C-O 118.091 -0.956 . . . . 0.0 110.481 179.029 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 221' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 234' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 88.9 m-20 . . . . . 0 N--CA 1.493 1.719 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -55.66 -49.96 71.51 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.103 -0.639 . . . . 0.0 110.138 -179.826 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 37.1 tp10 -65.82 -40.73 92.12 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 120.739 -0.384 . . . . 0.0 110.723 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -60.08 -71.0 0.14 Allowed 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.149 -0.686 . . . . 0.0 109.149 179.127 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -48.34 -43.74 33.62 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.619 -0.432 . . . . 0.0 110.446 -179.666 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.472 HD23 ' OH ' ' A' ' 138' ' ' TYR . 57.4 tp -62.79 -45.58 91.97 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.365 -0.534 . . . . 0.0 110.404 179.353 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 62.6 tttp -59.27 -33.73 71.41 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 120.434 -0.507 . . . . 0.0 110.221 179.765 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -68.74 -50.84 47.35 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 109.91 -0.404 . . . . 0.0 109.91 179.622 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -52.51 -47.35 66.7 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.333 -0.547 . . . . 0.0 109.875 179.761 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 32.1 t80 -56.71 -42.28 78.89 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.746 -0.382 . . . . 0.0 110.037 179.13 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 62.3 tttp -61.1 -33.05 72.74 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.776 -0.369 . . . . 0.0 110.472 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 85.4 t -69.57 -46.4 75.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 C-N-CA 120.518 -0.473 . . . . 0.0 110.667 179.569 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -65.56 -34.44 78.26 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 120.448 -0.501 . . . . 0.0 110.211 179.615 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 41.0 t0 -71.16 60.36 0.27 Allowed 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 120.447 -0.501 . . . . 0.0 110.71 -179.36 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 55.6 mtpt -52.9 -48.19 67.38 Favored 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 120.343 -0.543 . . . . 0.0 110.215 -179.214 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -67.23 -7.71 26.08 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.941 0.4 . . . . 0.0 109.997 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 26.6 mm-40 50.9 28.66 3.88 Favored 'General case' 0 C--N 1.325 -0.494 0 C-N-CA 120.414 -0.514 . . . . 0.0 110.184 -179.605 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 47.4 p30 -86.39 4.7 38.25 Favored 'General case' 0 C--N 1.328 -0.347 0 O-C-N 121.965 -0.459 . . . . 0.0 111.126 -179.156 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 81.02 -7.16 60.49 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 111.221 -0.751 . . . . 0.0 111.221 179.826 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.402 ' CE2' ' ND2' ' A' ' 137' ' ' ASN . 39.2 m-85 -128.67 134.97 48.67 Favored 'General case' 0 N--CA 1.469 0.477 0 N-CA-C 110.203 -0.295 . . . . 0.0 110.203 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 30.4 mt -83.2 127.98 39.19 Favored 'Isoleucine or valine' 0 C--O 1.235 0.308 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 179.037 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 24.9 m -95.13 155.51 16.7 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 116.541 -0.299 . . . . 0.0 110.675 -179.335 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -51.62 -41.88 61.6 Favored 'General case' 0 C--N 1.331 -0.199 0 C-N-CA 120.251 -0.579 . . . . 0.0 110.076 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 79.3 p -60.05 -37.89 81.16 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 120.663 -0.415 . . . . 0.0 110.661 179.673 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 80.3 mt-10 -68.31 -39.05 82.13 Favored 'General case' 0 N--CA 1.448 -0.538 0 C-N-CA 120.448 -0.501 . . . . 0.0 110.463 179.401 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 30.8 tp -62.84 -42.54 99.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.1 0.476 . . . . 0.0 110.134 179.11 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 84.9 mtp180 -60.22 -45.35 93.51 Favored 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 120.211 -0.596 . . . . 0.0 109.861 179.787 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 11.7 t-160 -57.56 -42.64 83.42 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.481 -0.487 . . . . 0.0 109.783 179.436 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 63.2 t -62.94 -45.49 98.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 C-N-CA 120.578 -0.449 . . . . 0.0 110.183 179.023 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' MET . . . . . 0.402 ' O ' ' O ' ' A' ' 114' ' ' GLU . 19.4 mmt -60.33 -42.68 96.16 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.549 -0.46 . . . . 0.0 110.157 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 95.7 mt -63.4 -44.03 98.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 179.038 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 26.2 t-20 -62.5 -35.14 78.43 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.698 -0.401 . . . . 0.0 110.074 179.544 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 49.4 mt -72.52 -5.04 34.24 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.864 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 85.37 17.6 62.11 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 110.888 -0.885 . . . . 0.0 110.888 179.754 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 114' ' ' GLU . . . . . 0.402 ' O ' ' O ' ' A' ' 109' ' ' MET . 97.2 mt-10 -126.9 143.21 51.34 Favored 'General case' 0 N--CA 1.467 0.381 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 179.655 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 18.6 ptmt -139.69 121.36 15.31 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-O 120.76 0.314 . . . . 0.0 110.182 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 48.2 mt -110.15 157.22 19.62 Favored 'General case' 0 N--CA 1.465 0.283 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 8.4 p -69.33 167.05 17.25 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.144 -0.623 . . . . 0.0 109.551 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 97.0 m-20 -62.57 -41.9 99.22 Favored 'General case' 0 C--N 1.332 -0.194 0 C-N-CA 120.417 -0.513 . . . . 0.0 110.777 -179.823 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 -54.58 -37.67 65.79 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.712 -0.395 . . . . 0.0 110.641 179.771 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 -73.04 -48.48 35.72 Favored 'General case' 0 N--CA 1.449 -0.491 0 C-N-CA 120.439 -0.504 . . . . 0.0 110.168 179.021 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 90.6 t -62.72 -47.63 91.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 C-N-CA 120.44 -0.504 . . . . 0.0 109.984 179.743 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -57.96 -36.89 73.21 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.511 -0.476 . . . . 0.0 110.342 179.601 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 83.5 mt-30 -71.6 -36.54 70.86 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.643 -0.423 . . . . 0.0 110.698 179.126 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 26.3 tpp -64.24 -44.68 91.06 Favored 'General case' 0 N--CA 1.448 -0.557 0 C-N-CA 120.788 -0.365 . . . . 0.0 110.302 -179.793 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 125' ' ' ILE . . . . . 0.431 HG22 ' OD2' ' A' ' 129' ' ' ASP . 12.1 mm -62.57 -48.6 87.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 C-N-CA 120.527 -0.469 . . . . 0.0 110.001 179.279 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -63.33 -43.7 97.01 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.75 179.456 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 81.8 tt0 -68.85 -37.51 79.16 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.915 179.585 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -76.14 -29.59 57.84 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.972 -179.611 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 129' ' ' ASP . . . . . 0.431 ' OD2' HG22 ' A' ' 125' ' ' ILE . 88.7 m-20 -76.34 118.73 19.33 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 120.403 -0.519 . . . . 0.0 111.37 -178.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 46.6 tp -74.9 -26.34 59.58 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.245 179.675 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 131' ' ' ASP . . . . . 0.432 ' O ' ' C ' ' A' ' 132' ' ' GLY . 43.7 p-10 -114.35 19.86 15.93 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 121.014 -0.274 . . . . 0.0 111.389 -179.219 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 132' ' ' GLY . . . . . 0.432 ' C ' ' O ' ' A' ' 131' ' ' ASP . . . 39.65 39.17 1.21 Allowed Glycine 0 CA--C 1.531 1.091 0 C-N-CA 120.28 -0.962 . . . . 0.0 111.369 -179.899 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 133' ' ' ASP . . . . . 0.556 ' OD1' ' N ' ' A' ' 134' ' ' GLY . 43.8 p-10 -76.91 -18.04 58.55 Favored 'General case' 0 CA--C 1.528 0.098 0 CA-C-N 117.132 0.466 . . . . 0.0 110.312 179.701 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 134' ' ' GLY . . . . . 0.556 ' N ' ' OD1' ' A' ' 133' ' ' ASP . . . 96.24 -10.29 67.48 Favored Glycine 0 C--N 1.33 0.2 0 N-CA-C 110.269 -1.132 . . . . 0.0 110.269 179.873 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 135' ' ' GLN . . . . . 0.51 ' N ' ' OD1' ' A' ' 133' ' ' ASP . 17.2 mt-30 -117.84 132.76 56.4 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-O 120.566 0.222 . . . . 0.0 110.403 -179.063 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 98.8 t -82.58 118.51 30.41 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.278 0 N-CA-C 108.671 -0.862 . . . . 0.0 108.671 178.603 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 137' ' ' ASN . . . . . 0.402 ' ND2' ' CE2' ' A' ' 99' ' ' TYR . 17.9 t-20 -95.79 170.13 9.53 Favored 'General case' 0 N--CA 1.47 0.571 0 N-CA-C 110.019 -0.363 . . . . 0.0 110.019 179.818 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 138' ' ' TYR . . . . . 0.472 ' OH ' HD23 ' A' ' 85' ' ' LEU . 60.9 t80 -53.14 -46.15 68.7 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.694 -0.402 . . . . 0.0 110.977 -178.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -56.55 -45.73 81.07 Favored 'General case' 0 CA--C 1.517 -0.302 0 C-N-CA 120.688 -0.405 . . . . 0.0 111.177 -179.42 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -69.54 -37.23 76.98 Favored 'General case' 0 C--N 1.313 -1.022 0 C-N-CA 119.993 -0.683 . . . . 0.0 110.111 179.383 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 33.5 t80 -63.5 -56.41 16.29 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 119.998 -0.681 . . . . 0.0 109.777 -179.512 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 142' ' ' VAL . . . . . 0.502 HG13 ' N ' ' A' ' 143' ' ' LYS . 11.7 p -57.72 -41.98 80.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-O 121.313 0.578 . . . . 0.0 109.971 -179.528 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 143' ' ' LYS . . . . . 0.502 ' N ' HG13 ' A' ' 142' ' ' VAL . 88.7 tttt -63.1 -50.53 70.17 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.564 -0.743 . . . . 0.0 109.688 178.905 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 47.6 ttp -62.96 -38.71 92.17 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.096 -0.705 . . . . 0.0 109.096 178.717 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 145' ' ' MET . . . . . 0.416 ' O ' ' N ' ' A' ' 149' ' ' ARG . 56.3 tpp -62.7 -41.02 98.91 Favored 'General case' 0 N--CA 1.443 -0.781 0 CA-C-N 115.367 -0.833 . . . . 0.0 109.573 -179.615 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 3.1 mmt -62.4 -37.89 87.5 Favored 'General case' 0 N--CA 1.452 -0.351 0 N-CA-C 109.896 -0.409 . . . . 0.0 109.896 179.53 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 9.8 m -61.18 -71.48 0.14 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.583 -179.706 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 72.6 t -63.82 -44.83 98.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.344 179.539 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 149' ' ' ARG . . . . . 0.416 ' N ' ' O ' ' A' ' 145' ' ' MET . 62.1 ttp180 . . . . . 0 C--O 1.22 -0.473 0 CA-C-O 117.954 -1.022 . . . . 0.0 110.257 179.83 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 221' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 234' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 . . . . . 0 N--CA 1.49 1.544 0 N-CA-C 110.048 -0.353 . . . . 0.0 110.048 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -55.08 -47.68 74.58 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 120.369 -0.532 . . . . 0.0 109.985 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 37.8 tp10 -66.47 -33.05 74.84 Favored 'General case' 0 N--CA 1.45 -0.45 0 C-N-CA 120.919 -0.312 . . . . 0.0 110.536 -179.857 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -68.76 -70.02 0.29 Allowed 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 178.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 -47.14 -37.67 10.33 Favored 'General case' 0 C--N 1.328 -0.326 0 C-N-CA 120.699 -0.4 . . . . 0.0 110.542 -179.863 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 57.7 tp -62.24 -44.83 95.66 Favored 'General case' 0 C--N 1.332 -0.18 0 C-N-CA 120.365 -0.534 . . . . 0.0 110.223 179.702 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 27.8 tptp -62.86 -37.11 85.58 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 120.455 -0.498 . . . . 0.0 110.264 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 80.3 tt0 -67.38 -52.2 42.88 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 120.563 -0.455 . . . . 0.0 110.091 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -53.27 -43.84 67.76 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 120.553 -0.459 . . . . 0.0 109.808 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 75.6 t80 -56.84 -45.31 82.45 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.981 -0.377 . . . . 0.0 109.981 179.435 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 53.5 mtpt -63.32 -31.26 72.36 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.869 -0.333 . . . . 0.0 110.865 179.217 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 62.1 t -83.2 -24.17 8.2 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 C-N-CA 120.853 -0.339 . . . . 0.0 110.648 179.512 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -69.5 -34.82 74.86 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.7 -0.4 . . . . 0.0 110.829 179.569 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.536 ' OD2' ' N ' ' A' ' 98' ' ' GLY . 39.0 t0 -74.87 83.67 2.18 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 120.455 -0.498 . . . . 0.0 111.193 -178.542 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 64.2 tttp -55.48 -49.42 72.57 Favored 'General case' 0 C--N 1.333 -0.133 0 N-CA-C 109.545 -0.539 . . . . 0.0 109.545 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' ASP . . . . . 0.429 ' OD2' ' OE2' ' A' ' 104' ' ' GLU . 9.7 m-20 -71.19 -6.7 41.54 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.986 0.422 . . . . 0.0 109.934 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 89.3 mt-30 49.11 33.65 5.08 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.191 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' ASN . . . . . 0.532 ' N ' ' OD2' ' A' ' 93' ' ' ASP . 30.2 p30 -88.49 -0.1 56.86 Favored 'General case' 0 N--CA 1.463 0.2 0 C-N-CA 120.969 -0.293 . . . . 0.0 111.416 -179.397 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' GLY . . . . . 0.536 ' N ' ' OD2' ' A' ' 93' ' ' ASP . . . 89.71 -4.32 83.58 Favored Glycine 0 CA--C 1.526 0.769 0 N-CA-C 111.427 -0.669 . . . . 0.0 111.427 179.649 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 57.9 m-85 -131.17 137.23 48.89 Favored 'General case' 0 N--CA 1.466 0.344 0 O-C-N 122.81 -0.229 . . . . 0.0 110.443 -179.779 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.407 HD13 HG21 ' A' ' 100' ' ' ILE . 6.9 mt -86.22 127.88 39.88 Favored 'Isoleucine or valine' 0 C--O 1.237 0.421 0 N-CA-C 108.859 -0.793 . . . . 0.0 108.859 178.94 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 101' ' ' SER . . . . . 0.472 ' CB ' HE22 ' A' ' 135' ' ' GLN . 15.2 m -99.38 155.23 17.64 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.539 -179.475 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -52.96 -41.37 64.46 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.289 -0.564 . . . . 0.0 110.079 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 67.0 m -60.17 -42.52 95.14 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 120.795 -0.362 . . . . 0.0 110.768 179.437 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.429 ' OE2' ' OD2' ' A' ' 95' ' ' ASP . 90.4 mt-10 -64.56 -37.95 89.32 Favored 'General case' 0 N--CA 1.442 -0.832 0 C-N-CA 120.653 -0.419 . . . . 0.0 110.199 179.669 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.572 HD13 ' O ' ' A' ' 105' ' ' LEU . 0.2 OUTLIER -63.89 -41.18 97.79 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-O 121.352 0.596 . . . . 0.0 109.942 179.735 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 95.3 mtm-85 -61.37 -45.72 93.2 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 120.371 -0.532 . . . . 0.0 110.127 -179.773 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 10.8 t-80 -57.89 -42.95 85.71 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.57 -0.452 . . . . 0.0 109.787 179.436 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 81.5 t -61.64 -45.93 97.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 C-N-CA 120.646 -0.422 . . . . 0.0 110.058 179.269 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' MET . . . . . 0.453 ' O ' ' O ' ' A' ' 114' ' ' GLU . 36.7 mtt -57.67 -40.65 79.84 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.624 -0.43 . . . . 0.0 110.072 -179.761 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 97.1 mt -65.25 -43.2 95.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 C-N-CA 120.539 -0.464 . . . . 0.0 110.091 178.849 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 -62.16 -36.82 83.01 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.371 179.721 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 8.9 mp -75.47 -1.09 22.52 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.079 179.694 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 79.66 15.48 79.44 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 179.858 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 114' ' ' GLU . . . . . 0.453 ' O ' ' O ' ' A' ' 109' ' ' MET . 97.0 mt-10 -116.46 137.78 51.9 Favored 'General case' 0 N--CA 1.466 0.352 0 N-CA-C 109.875 -0.417 . . . . 0.0 109.875 179.672 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.18 111.48 7.51 Favored 'General case' 0 N--CA 1.47 0.525 0 N-CA-C 109.725 -0.472 . . . . 0.0 109.725 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.561 ' N ' HD12 ' A' ' 116' ' ' LEU . 6.2 mp -105.97 168.19 9.29 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 179.845 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 9.7 p -73.56 161.53 30.24 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.224 -0.59 . . . . 0.0 109.482 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 93.7 m-20 -62.01 -40.41 95.58 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.392 -0.523 . . . . 0.0 110.567 -179.659 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -56.27 -34.96 66.92 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 120.627 -0.429 . . . . 0.0 110.672 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 -73.85 -49.11 26.61 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 120.412 -0.515 . . . . 0.0 110.361 179.131 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 98.6 t -64.41 -44.52 97.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 C-N-CA 120.694 -0.402 . . . . 0.0 110.166 179.527 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -65.42 -41.45 93.55 Favored 'General case' 0 CA--C 1.516 -0.336 0 C-N-CA 120.889 -0.324 . . . . 0.0 110.34 179.392 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 56.8 tt0 -66.39 -43.05 86.95 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.614 -0.434 . . . . 0.0 110.578 179.262 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 124' ' ' MET . . . . . 0.406 ' O ' ' N ' ' A' ' 128' ' ' ALA . 64.6 ttp -66.48 -41.19 89.33 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-O 120.91 0.386 . . . . 0.0 110.22 179.19 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 3.0 mm -61.24 -63.92 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 C-N-CA 120.311 -0.556 . . . . 0.0 109.787 179.762 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 16.9 ptmt -53.12 -37.59 61.9 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.627 -178.786 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 82.2 tt0 -73.38 -34.67 65.69 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.688 179.781 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.406 ' N ' ' O ' ' A' ' 124' ' ' MET . . . -69.03 -32.26 71.64 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.791 -0.641 . . . . 0.0 111.143 -179.462 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 129' ' ' ASP . . . . . 0.56 ' OD2' ' N ' ' A' ' 133' ' ' ASP . 35.0 t70 -75.4 121.95 23.04 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.141 0.496 . . . . 0.0 111.788 -179.055 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 10.2 tp -86.52 -24.81 25.39 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.623 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 131' ' ' ASP . . . . . 0.44 ' OD1' ' OD2' ' A' ' 129' ' ' ASP . 27.4 p30 -98.68 12.09 36.51 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 111.725 0.268 . . . . 0.0 111.725 -178.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 132' ' ' GLY . . . . . 0.549 ' N ' ' OD2' ' A' ' 129' ' ' ASP . . . 45.69 23.7 1.01 Allowed Glycine 0 CA--C 1.53 0.999 0 C-N-CA 120.378 -0.915 . . . . 0.0 111.258 179.728 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 133' ' ' ASP . . . . . 0.56 ' N ' ' OD2' ' A' ' 129' ' ' ASP . 45.2 p-10 -71.68 -16.59 62.25 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 117.043 0.421 . . . . 0.0 110.373 179.636 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 134' ' ' GLY . . . . . 0.453 ' N ' ' OD1' ' A' ' 133' ' ' ASP . . . 94.55 -5.33 70.22 Favored Glycine 0 N--CA 1.459 0.193 0 N-CA-C 110.205 -1.158 . . . . 0.0 110.205 179.644 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 135' ' ' GLN . . . . . 0.472 HE22 ' CB ' ' A' ' 101' ' ' SER . 60.8 mm-40 -122.69 142.68 50.43 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-O 120.857 0.36 . . . . 0.0 110.69 -178.938 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 24.3 t -87.07 115.63 28.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 N-CA-C 108.434 -0.95 . . . . 0.0 108.434 178.512 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 42.3 t30 -91.95 169.68 10.47 Favored 'General case' 0 N--CA 1.467 0.407 0 N-CA-C 110.176 -0.305 . . . . 0.0 110.176 179.359 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 89.1 t80 -50.4 -49.1 55.54 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.724 -0.39 . . . . 0.0 111.112 -178.764 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 139' ' ' GLU . . . . . 0.429 ' CG ' ' N ' ' A' ' 140' ' ' GLU . 10.5 pt-20 -58.27 -42.04 85.64 Favored 'General case' 0 N--CA 1.456 -0.172 0 CA-C-O 121.034 0.445 . . . . 0.0 110.797 -179.335 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 140' ' ' GLU . . . . . 0.429 ' N ' ' CG ' ' A' ' 139' ' ' GLU . 57.5 mt-10 -70.55 -38.96 74.24 Favored 'General case' 0 C--N 1.321 -0.651 0 C-N-CA 120.07 -0.652 . . . . 0.0 109.553 179.648 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 74.0 t80 -61.95 -55.5 28.82 Favored 'General case' 0 N--CA 1.455 -0.192 0 C-N-CA 120.051 -0.659 . . . . 0.0 110.307 -179.854 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 142' ' ' VAL . . . . . 0.483 HG13 ' N ' ' A' ' 143' ' ' LYS . 14.5 p -58.51 -41.26 81.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 -179.756 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 143' ' ' LYS . . . . . 0.483 ' N ' HG13 ' A' ' 142' ' ' VAL . 28.5 tptp -61.78 -49.73 75.2 Favored 'General case' 0 N--CA 1.446 -0.648 0 CA-C-N 115.925 -0.58 . . . . 0.0 109.901 179.217 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 8.1 tmm? -61.67 -37.09 82.82 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.068 -0.716 . . . . 0.0 109.068 178.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 45.5 tpp -64.73 -38.74 92.02 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.021 -0.99 . . . . 0.0 109.555 -179.732 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 146' ' ' MET . . . . . 0.477 ' C ' ' N ' ' A' ' 148' ' ' VAL . 75.6 mmm -64.12 -39.69 94.57 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.938 -0.393 . . . . 0.0 109.938 179.47 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 40.7 m -47.6 -14.25 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.471 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 148' ' ' VAL . . . . . 0.477 ' N ' ' C ' ' A' ' 146' ' ' MET . 40.5 t -76.98 -3.27 5.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.516 179.864 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.219 -0.539 0 CA-C-O 117.968 -1.015 . . . . 0.0 110.318 179.518 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 221' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 234' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 97.3 m-20 . . . . . 0 N--CA 1.492 1.639 0 N-CA-C 109.962 -0.385 . . . . 0.0 109.962 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -54.07 -48.94 70.1 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.261 -0.575 . . . . 0.0 109.928 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 41.8 tp10 -61.24 -30.76 70.65 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 120.82 -0.352 . . . . 0.0 110.594 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -72.22 -66.94 0.59 Allowed 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 178.864 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 46.8 tp10 -44.68 -42.22 7.37 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.577 -0.449 . . . . 0.0 110.443 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 19.6 mt -62.94 -44.36 96.29 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.299 -0.56 . . . . 0.0 110.475 179.699 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -63.05 -41.5 99.49 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 120.329 -0.548 . . . . 0.0 109.925 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -65.1 -53.89 38.44 Favored 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 120.493 -0.483 . . . . 0.0 109.878 179.75 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -53.4 -47.33 69.63 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 120.434 -0.506 . . . . 0.0 109.73 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 42.7 t80 -56.62 -43.65 80.39 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.808 -0.441 . . . . 0.0 109.808 179.306 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 89.0 tttt -60.96 -33.09 72.66 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 120.742 -0.383 . . . . 0.0 110.577 179.777 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 69.5 t -69.74 -47.78 68.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 C-N-CA 120.407 -0.517 . . . . 0.0 110.962 179.457 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -63.16 -34.01 76.69 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.397 -0.521 . . . . 0.0 110.251 179.851 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.513 ' O ' ' N ' ' A' ' 96' ' ' GLN . 41.4 t0 -73.85 59.44 0.68 Allowed 'General case' 0 C--N 1.324 -0.5 0 C-N-CA 120.527 -0.469 . . . . 0.0 110.738 -179.284 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.417 ' HE3' ' CD2' ' A' ' 107' ' ' HIS . 67.7 mmtt -46.84 -44.74 19.66 Favored 'General case' 0 C--N 1.333 -0.135 0 C-N-CA 120.232 -0.587 . . . . 0.0 110.344 -179.631 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -71.92 -6.98 45.88 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 120.84 -0.344 . . . . 0.0 110.161 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' GLN . . . . . 0.513 ' N ' ' O ' ' A' ' 93' ' ' ASP . 77.4 mt-30 48.65 34.82 5.4 Favored 'General case' 0 C--N 1.322 -0.595 0 C-N-CA 120.55 -0.46 . . . . 0.0 110.223 -179.801 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' ASN . . . . . 0.418 ' OD1' ' O ' ' A' ' 99' ' ' TYR . 18.8 p30 -90.46 2.78 55.34 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 120.74 -0.384 . . . . 0.0 111.215 -179.313 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 87.64 -8.87 75.96 Favored Glycine 0 CA--C 1.524 0.654 0 C-N-CA 120.8 -0.714 . . . . 0.0 111.418 179.593 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.442 ' CE2' ' OD1' ' A' ' 137' ' ' ASN . 67.0 m-85 -130.97 135.8 47.96 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 116.673 0.236 . . . . 0.0 110.391 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 20.2 mt -83.44 127.51 39.67 Favored 'Isoleucine or valine' 0 C--O 1.235 0.303 0 N-CA-C 108.86 -0.793 . . . . 0.0 108.86 179.195 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 17.2 m -91.63 157.21 17.1 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.628 -179.315 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -52.15 -42.66 63.56 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 120.257 -0.577 . . . . 0.0 110.091 179.685 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 44.8 t -59.32 -40.21 85.56 Favored 'General case' 0 C--O 1.238 0.478 0 CA-C-O 120.909 0.385 . . . . 0.0 110.531 179.582 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -68.0 -38.56 82.8 Favored 'General case' 0 N--CA 1.448 -0.565 0 O-C-N 121.812 -0.555 . . . . 0.0 110.406 179.069 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.548 ' CD1' ' SD ' ' A' ' 109' ' ' MET . 0.2 OUTLIER -59.55 -40.77 88.35 Favored 'General case' 0 CA--C 1.537 0.458 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 179.642 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 84.2 mtp180 -63.12 -42.44 99.54 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.6 -0.519 . . . . 0.0 109.6 179.48 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' HIS . . . . . 0.417 ' CD2' ' HE3' ' A' ' 94' ' ' LYS . 32.8 t60 -55.33 -32.41 62.48 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 109.57 -0.53 . . . . 0.0 109.57 179.15 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.508 ' O ' HD13 ' A' ' 112' ' ' LEU . 94.5 t -74.09 -44.09 50.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 C-N-CA 120.507 -0.477 . . . . 0.0 110.387 178.597 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 109' ' ' MET . . . . . 0.567 ' SD ' ' N ' ' A' ' 109' ' ' MET . 0.0 OUTLIER -62.28 -48.14 81.2 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.291 -0.564 . . . . 0.0 111.296 -179.684 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.702 HD12 ' N ' ' A' ' 111' ' ' ASN . 2.7 pp -65.76 -42.92 93.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 C-N-CA 120.385 -0.526 . . . . 0.0 109.904 179.268 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 111' ' ' ASN . . . . . 0.702 ' N ' HD12 ' A' ' 110' ' ' ILE . 20.5 t30 -58.8 -33.89 70.87 Favored 'General case' 0 C--N 1.332 -0.157 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 179.881 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.508 HD13 ' O ' ' A' ' 108' ' ' VAL . 7.2 mp -80.18 -1.34 39.98 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.984 179.161 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 83.35 21.33 58.73 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -119.96 136.57 54.48 Favored 'General case' 0 N--CA 1.466 0.359 0 N-CA-C 109.634 -0.506 . . . . 0.0 109.634 179.743 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 31.4 pttt -130.22 112.81 13.71 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-O 120.634 0.254 . . . . 0.0 110.349 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 65.0 mt -109.18 155.25 21.27 Favored 'General case' 0 N--CA 1.466 0.334 0 N-CA-C 109.56 -0.533 . . . . 0.0 109.56 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 117' ' ' THR . . . . . 0.405 HG22 ' N ' ' A' ' 118' ' ' ASP . 12.8 m -64.32 160.47 18.79 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.203 -0.599 . . . . 0.0 109.538 -179.763 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 118' ' ' ASP . . . . . 0.405 ' N ' HG22 ' A' ' 117' ' ' THR . 41.8 t0 -62.47 -35.55 79.68 Favored 'General case' 0 C--O 1.234 0.261 0 C-N-CA 120.475 -0.49 . . . . 0.0 110.467 -179.738 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -64.35 -34.61 78.55 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.688 -0.405 . . . . 0.0 110.646 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -71.26 -45.53 62.97 Favored 'General case' 0 N--CA 1.451 -0.411 0 C-N-CA 120.463 -0.495 . . . . 0.0 110.01 179.272 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 70.5 t -63.25 -49.22 83.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 C-N-CA 120.42 -0.512 . . . . 0.0 110.143 179.706 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -56.37 -36.68 69.11 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.621 -0.432 . . . . 0.0 110.215 179.447 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 59.1 tt0 -67.18 -38.46 85.44 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.569 -0.453 . . . . 0.0 110.472 179.359 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 93.9 mtp -64.35 -41.95 96.49 Favored 'General case' 0 N--CA 1.449 -0.513 0 C-N-CA 120.73 -0.388 . . . . 0.0 110.373 179.83 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 7.3 mm -62.73 -48.85 86.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 N-CA-C 109.761 -0.459 . . . . 0.0 109.761 179.213 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -63.42 -44.52 94.37 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.619 179.611 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 78.4 tt0 -68.07 -37.66 81.53 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.961 179.705 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -75.45 -31.0 60.15 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.21 -179.664 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -77.48 122.77 25.67 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 120.437 -0.505 . . . . 0.0 111.231 -178.607 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 5.8 tt -80.3 -24.17 40.17 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.488 179.82 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 131' ' ' ASP . . . . . 0.41 ' O ' ' C ' ' A' ' 132' ' ' GLY . 36.4 p30 -111.36 18.15 19.49 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 121.083 -0.247 . . . . 0.0 111.465 -179.086 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 132' ' ' GLY . . . . . 0.41 ' C ' ' O ' ' A' ' 131' ' ' ASP . . . 40.17 34.78 0.64 Allowed Glycine 0 CA--C 1.531 1.08 0 C-N-CA 120.306 -0.95 . . . . 0.0 111.464 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 133' ' ' ASP . . . . . 0.553 ' OD1' ' N ' ' A' ' 134' ' ' GLY . 51.2 p-10 -76.45 -18.16 58.93 Favored 'General case' 0 N--CA 1.461 0.123 0 C-N-CA 120.54 -0.464 . . . . 0.0 110.262 179.844 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 134' ' ' GLY . . . . . 0.553 ' N ' ' OD1' ' A' ' 133' ' ' ASP . . . 96.35 -10.52 67.27 Favored Glycine 0 C--N 1.331 0.263 0 N-CA-C 110.259 -1.136 . . . . 0.0 110.259 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 135' ' ' GLN . . . . . 0.478 ' N ' ' OD1' ' A' ' 133' ' ' ASP . 12.4 mt-30 -114.88 130.99 57.0 Favored 'General case' 0 N--CA 1.449 -0.516 0 N-CA-C 110.554 -0.165 . . . . 0.0 110.554 -178.93 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 94.7 t -79.92 121.15 32.71 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.254 0 N-CA-C 108.493 -0.929 . . . . 0.0 108.493 178.857 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 137' ' ' ASN . . . . . 0.442 ' OD1' ' CE2' ' A' ' 99' ' ' TYR . 57.7 t30 -96.31 164.36 12.68 Favored 'General case' 0 N--CA 1.471 0.625 0 N-CA-C 110.094 -0.336 . . . . 0.0 110.094 -179.864 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 138' ' ' TYR . . . . . 0.439 ' CE2' HG21 ' A' ' 142' ' ' VAL . 88.0 t80 -46.29 -50.68 15.84 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 120.604 -0.438 . . . . 0.0 111.009 -178.93 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 82.6 tt0 -58.81 -43.61 90.61 Favored 'General case' 0 CA--C 1.516 -0.357 0 C-N-CA 120.637 -0.425 . . . . 0.0 111.397 -179.172 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -65.37 -42.12 93.09 Favored 'General case' 0 C--N 1.317 -0.812 0 C-N-CA 119.981 -0.688 . . . . 0.0 110.28 179.84 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 49.8 t80 -62.3 -50.33 72.08 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.276 -0.638 . . . . 0.0 109.276 179.333 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 142' ' ' VAL . . . . . 0.439 HG21 ' CE2' ' A' ' 138' ' ' TYR . 47.7 t -58.85 -45.76 91.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.547 179.648 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 62.7 tttp -61.54 -49.53 76.31 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.782 -0.645 . . . . 0.0 109.83 179.404 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 13.2 tmm? -63.11 -41.07 99.28 Favored 'General case' 0 CA--C 1.51 -0.596 0 CA-C-O 121.549 0.69 . . . . 0.0 109.606 178.696 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 36.1 ttm -69.2 -41.22 77.4 Favored 'General case' 0 N--CA 1.445 -0.709 0 CA-C-N 115.256 -0.884 . . . . 0.0 110.274 -179.79 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 146' ' ' MET . . . . . 0.405 ' N ' ' O ' ' A' ' 142' ' ' VAL . 15.6 mmt -64.88 -39.2 93.17 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.08 179.471 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 33.4 m -55.44 -72.99 0.06 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.275 -179.546 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 78.9 t -67.0 -70.9 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.279 179.55 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 62.4 ttp180 . . . . . 0 C--N 1.326 -0.448 0 CA-C-O 117.914 -1.041 . . . . 0.0 110.522 179.713 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 221' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 234' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 . . . . . 0 N--CA 1.491 1.584 0 N-CA-C 109.879 -0.415 . . . . 0.0 109.879 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -53.92 -48.56 70.06 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 120.37 -0.532 . . . . 0.0 109.898 -179.725 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -58.38 -35.86 72.63 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 120.697 -0.401 . . . . 0.0 110.263 -179.72 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.468 ' OE1' ' N ' ' A' ' 83' ' ' GLU . 57.0 mp0 -72.73 -65.26 0.81 Allowed 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.083 -0.71 . . . . 0.0 109.083 178.327 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -42.85 -46.42 5.27 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.559 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 74.0 mt -61.53 -43.7 98.38 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 120.525 -0.47 . . . . 0.0 110.449 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 36.5 mmtm -63.94 -44.18 93.62 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.331 -0.548 . . . . 0.0 110.446 179.09 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 84.9 tt0 -68.36 -50.44 53.19 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.639 -0.424 . . . . 0.0 110.208 179.57 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -55.48 -48.02 75.22 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.24 -0.437 . . . . 0.0 109.976 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.424 ' CD1' ' C ' ' A' ' 89' ' ' PHE . 29.9 t80 -57.7 -42.34 83.51 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.28 -0.418 . . . . 0.0 109.932 179.547 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 14.3 tptm -61.51 -32.35 72.38 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.805 -179.669 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 77.7 t -68.71 -45.53 81.1 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.299 0 C-N-CA 120.69 -0.404 . . . . 0.0 110.681 179.237 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -66.92 -33.18 75.02 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.494 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 43.9 t0 -73.74 59.62 0.67 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.432 -179.441 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 56.1 mtpt -51.83 -45.64 64.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 109.865 -179.014 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -68.81 -10.25 55.71 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.975 0.417 . . . . 0.0 110.007 -179.495 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 52.54 28.21 5.8 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.506 -179.724 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 37.0 p-10 -86.72 5.25 37.17 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.315 -179.097 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 80.17 -3.92 69.47 Favored Glycine 0 CA--C 1.527 0.788 0 N-CA-C 111.462 -0.655 . . . . 0.0 111.462 179.402 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 38.6 m-85 -131.44 135.56 47.24 Favored 'General case' 0 N--CA 1.468 0.46 0 N-CA-C 110.424 -0.213 . . . . 0.0 110.424 -179.839 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 43.8 mt -84.77 128.9 38.53 Favored 'Isoleucine or valine' 0 C--O 1.237 0.397 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 178.589 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 36.4 t -98.21 159.33 15.01 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.616 -179.175 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -51.84 -41.39 61.78 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.504 -0.478 . . . . 0.0 109.726 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 70.2 m -56.75 -40.72 76.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.015 0.436 . . . . 0.0 110.384 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 92.0 mt-10 -71.84 -38.33 70.16 Favored 'General case' 0 N--CA 1.441 -0.881 0 CA-C-O 120.719 0.295 . . . . 0.0 110.868 179.19 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.571 HD13 ' O ' ' A' ' 105' ' ' LEU . 0.2 OUTLIER -60.34 -44.5 95.46 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 120.987 0.422 . . . . 0.0 110.38 -178.872 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 9.0 ptm180 -69.67 -39.67 76.86 Favored 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 120.312 -0.555 . . . . 0.0 109.84 179.368 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 14.2 t-80 -57.35 -42.76 82.6 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 109.665 -0.495 . . . . 0.0 109.665 179.81 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 57.2 t -65.43 -43.85 94.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.063 179.1 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 11.7 mmt -60.36 -41.98 94.82 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.539 -0.465 . . . . 0.0 110.311 -179.496 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 96.5 mt -65.07 -43.56 95.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.943 0.401 . . . . 0.0 109.99 179.238 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 22.9 t30 -59.95 -33.27 71.7 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.282 179.763 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -83.19 -1.83 53.98 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.063 179.73 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 86.47 20.16 55.11 Favored Glycine 0 N--CA 1.464 0.505 0 N-CA-C 111.109 -0.796 . . . . 0.0 111.109 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 -117.6 130.98 56.73 Favored 'General case' 0 N--CA 1.465 0.294 0 N-CA-C 109.754 -0.462 . . . . 0.0 109.754 179.508 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 8.9 ptmm? -136.38 116.29 13.2 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-O 120.989 0.423 . . . . 0.0 110.624 -179.627 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 1.6 mp -113.79 162.02 16.82 Favored 'General case' 0 N--CA 1.464 0.274 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 24.6 p -70.24 167.29 18.26 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.2 -0.6 . . . . 0.0 109.489 -179.758 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 91.4 m-20 -62.74 -38.93 92.48 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.615 -0.434 . . . . 0.0 110.447 -179.412 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 119' ' ' GLU . . . . . 0.451 ' OE1' ' N ' ' A' ' 119' ' ' GLU . 58.5 mp0 -63.87 -34.77 78.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.678 179.836 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 65.8 mt-10 -70.82 -47.25 60.46 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.292 179.014 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 87.7 t -64.33 -47.18 90.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 N-CA-C 109.987 -0.375 . . . . 0.0 109.987 179.656 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 80.8 tt0 -57.59 -37.2 72.82 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.784 -0.45 . . . . 0.0 109.784 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 57.2 tt0 -65.21 -42.23 93.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.243 179.432 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 80.2 mmm -65.88 -42.72 89.95 Favored 'General case' 0 N--CA 1.448 -0.571 0 CA-C-O 120.687 0.279 . . . . 0.0 110.722 179.837 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 36.9 mm -63.87 -45.26 97.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 179.804 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 38.4 mmtm -66.66 -42.64 86.3 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.366 -0.834 . . . . 0.0 110.864 179.549 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 80.4 tt0 -70.35 -36.41 74.18 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.839 -179.787 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -77.44 -29.18 52.77 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.349 -179.031 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 129' ' ' ASP . . . . . 0.437 ' OD1' ' OD1' ' A' ' 133' ' ' ASP . 41.5 t0 -71.35 105.44 3.51 Favored 'General case' 0 CA--C 1.507 -0.683 0 CA-C-O 121.322 0.582 . . . . 0.0 112.058 -179.121 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.536 ' H ' ' CD ' ' A' ' 140' ' ' GLU . 50.9 tp -87.35 -29.14 21.76 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 115.14 -0.936 . . . . 0.0 111.574 179.222 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 36.8 m-20 -79.6 -11.35 59.88 Favored 'General case' 0 N--CA 1.464 0.23 0 C-N-CA 120.887 -0.325 . . . . 0.0 111.668 -178.497 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 70.0 22.31 77.11 Favored Glycine 0 CA--C 1.529 0.933 0 C-N-CA 120.724 -0.751 . . . . 0.0 111.348 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 133' ' ' ASP . . . . . 0.509 ' O ' ' NE2' ' A' ' 135' ' ' GLN . 38.8 p-10 -89.46 -15.0 34.09 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-N 116.941 0.371 . . . . 0.0 110.555 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 89.37 5.6 72.19 Favored Glycine 0 N--CA 1.46 0.236 0 N-CA-C 110.144 -1.182 . . . . 0.0 110.144 179.402 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 135' ' ' GLN . . . . . 0.509 ' NE2' ' O ' ' A' ' 133' ' ' ASP . 3.2 mp0 -123.16 144.62 49.23 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-N 115.48 -0.36 . . . . 0.0 110.629 -178.76 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 49.0 t -92.16 109.99 22.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 N-CA-C 108.778 -0.823 . . . . 0.0 108.778 178.689 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 137' ' ' ASN . . . . . 0.449 ' CG ' ' H ' ' A' ' 138' ' ' TYR . 26.7 t-20 -93.67 175.62 6.67 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 109.975 -0.38 . . . . 0.0 109.975 179.564 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 138' ' ' TYR . . . . . 0.449 ' H ' ' CG ' ' A' ' 137' ' ' ASN . 76.2 t80 -53.81 -43.21 69.17 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.828 -178.824 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 80.0 tt0 -61.68 -46.59 89.07 Favored 'General case' 0 C--O 1.226 -0.182 0 C-N-CA 120.913 -0.315 . . . . 0.0 110.868 -179.399 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 140' ' ' GLU . . . . . 0.536 ' CD ' ' H ' ' A' ' 130' ' ' LEU . 65.3 mt-10 -70.63 -37.66 73.82 Favored 'General case' 0 C--N 1.321 -0.635 0 C-N-CA 119.825 -0.75 . . . . 0.0 109.873 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 50.6 t80 -63.79 -54.08 40.84 Favored 'General case' 0 C--O 1.232 0.14 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.601 179.711 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 142' ' ' VAL . . . . . 0.511 HG13 ' N ' ' A' ' 143' ' ' LYS . 7.0 p -61.01 -43.7 96.67 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.151 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 -179.132 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 143' ' ' LYS . . . . . 0.511 ' N ' HG13 ' A' ' 142' ' ' VAL . 66.5 tttm -60.47 -50.44 73.55 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.938 179.335 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 15.0 tmm? -62.87 -37.79 88.29 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.56 0.695 . . . . 0.0 109.567 179.174 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 43.1 tpp -64.59 -39.94 94.62 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 114.905 -1.043 . . . . 0.0 109.575 179.61 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 88.5 mtp -63.29 -35.15 79.41 Favored 'General case' 0 CA--C 1.52 -0.187 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 179.701 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 25.6 m -58.41 -71.7 0.11 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.576 179.72 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 80.4 t -68.85 -17.99 22.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.511 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 82.8 mtp180 . . . . . 0 C--O 1.221 -0.429 0 CA-C-O 118.038 -0.982 . . . . 0.0 110.569 -179.857 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 221' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 234' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 67.2 t0 . . . . . 0 N--CA 1.491 1.582 0 N-CA-C 109.997 -0.372 . . . . 0.0 109.997 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -46.98 -46.28 21.5 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 120.368 -0.533 . . . . 0.0 109.829 -179.702 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 38.7 tp10 -59.73 -32.26 70.39 Favored 'General case' 0 N--CA 1.45 -0.437 0 C-N-CA 120.866 -0.334 . . . . 0.0 110.348 -179.802 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 80.8 tt0 -75.62 -64.07 1.16 Allowed 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 108.688 -0.856 . . . . 0.0 108.688 178.284 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 83.1 tt0 -45.98 -46.77 16.55 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.063 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 66.7 mt -62.01 -44.68 96.2 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 120.313 -0.555 . . . . 0.0 110.478 179.338 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 89.0 tttt -65.03 -44.36 89.37 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.566 -0.454 . . . . 0.0 110.198 179.356 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 9.4 tm-20 -68.51 -52.6 30.41 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.533 -0.467 . . . . 0.0 110.242 179.645 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -52.18 -42.81 63.76 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.476 ' CD1' HD11 ' A' ' 100' ' ' ILE . 70.8 t80 -58.95 -43.55 91.26 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 109.897 -0.409 . . . . 0.0 109.897 179.094 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -60.4 -32.35 71.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.532 -0.304 . . . . 0.0 110.499 179.689 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 80.7 t -72.32 -41.88 65.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-O 120.897 0.38 . . . . 0.0 110.656 179.07 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -61.52 -35.1 76.77 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.848 -0.341 . . . . 0.0 110.359 -179.479 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.4 ' OD2' ' N ' ' A' ' 98' ' ' GLY . 38.8 t0 -72.75 70.99 0.99 Allowed 'General case' 0 C--N 1.323 -0.545 0 C-N-CA 120.503 -0.479 . . . . 0.0 110.954 -178.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -51.45 -46.41 63.04 Favored 'General case' 0 C--N 1.332 -0.17 0 C-N-CA 120.463 -0.495 . . . . 0.0 109.707 -179.357 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' ASP . . . . . 0.429 ' OD2' ' OE2' ' A' ' 104' ' ' GLU . 3.7 m-20 -76.99 5.53 7.85 Favored 'General case' 0 CA--C 1.513 -0.462 0 N-CA-C 110.001 -0.37 . . . . 0.0 110.001 -179.833 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 12.4 pt20 37.99 32.31 0.04 OUTLIER 'General case' 0 CA--C 1.531 0.235 0 O-C-N 123.326 0.391 . . . . 0.0 110.815 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' ASN . . . . . 0.408 ' N ' ' O ' ' A' ' 95' ' ' ASP . 43.7 p-10 -83.9 -5.69 59.27 Favored 'General case' 0 C--N 1.331 -0.208 0 C-N-CA 120.806 -0.358 . . . . 0.0 111.01 -178.424 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' GLY . . . . . 0.4 ' N ' ' OD2' ' A' ' 93' ' ' ASP . . . 97.91 -7.43 62.81 Favored Glycine 0 CA--C 1.528 0.868 0 N-CA-C 111.342 -0.703 . . . . 0.0 111.342 179.809 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 76.4 m-85 -134.12 138.55 45.3 Favored 'General case' 0 N--CA 1.467 0.419 0 O-C-N 122.789 -0.242 . . . . 0.0 110.418 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.476 HD11 ' CD1' ' A' ' 89' ' ' PHE . 23.8 mt -85.54 128.83 38.82 Favored 'Isoleucine or valine' 0 C--O 1.241 0.613 0 N-CA-C 108.944 -0.761 . . . . 0.0 108.944 179.104 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 30.3 t -96.07 155.3 16.82 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.532 -179.391 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -53.11 -42.66 66.2 Favored 'General case' 0 C--N 1.331 -0.229 0 C-N-CA 120.385 -0.526 . . . . 0.0 109.949 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' SER . . . . . 0.403 ' HA ' ' HE ' ' A' ' 106' ' ' ARG . 51.0 m -59.27 -43.12 92.52 Favored 'General case' 0 C--N 1.332 -0.195 0 C-N-CA 120.768 -0.373 . . . . 0.0 110.424 179.711 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.429 ' OE2' ' OD2' ' A' ' 95' ' ' ASP . 89.3 mt-10 -62.81 -38.47 90.84 Favored 'General case' 0 N--CA 1.444 -0.748 0 C-N-CA 120.612 -0.435 . . . . 0.0 110.259 179.574 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.551 HD13 ' O ' ' A' ' 105' ' ' LEU . 0.2 OUTLIER -63.14 -41.55 99.32 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-O 121.259 0.552 . . . . 0.0 110.058 179.743 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.403 ' HE ' ' HA ' ' A' ' 103' ' ' SER . 82.2 mtm180 -63.87 -47.92 78.77 Favored 'General case' 0 C--O 1.22 -0.487 0 C-N-CA 120.403 -0.519 . . . . 0.0 109.857 -179.756 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 46.2 t-80 -51.8 -38.87 57.4 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 179.74 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 69.7 t -63.86 -42.24 95.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 116.22 -0.446 . . . . 0.0 109.827 178.898 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 109' ' ' MET . . . . . 0.571 ' SD ' ' N ' ' A' ' 109' ' ' MET . 0.0 OUTLIER -59.47 -42.97 93.25 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.538 -0.465 . . . . 0.0 110.111 -179.876 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 13.1 mm -63.55 -47.05 93.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 N-CA-C 109.506 -0.554 . . . . 0.0 109.506 179.728 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 8.1 t-20 -58.84 -34.89 72.07 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.774 -0.454 . . . . 0.0 109.774 179.569 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 40.6 mt -77.18 -3.07 37.66 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.919 179.83 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 77.05 17.14 80.06 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 179.789 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -116.11 140.71 49.01 Favored 'General case' 0 N--CA 1.466 0.351 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.428 ' C ' HD12 ' A' ' 116' ' ' LEU . 15.9 pttm -131.31 106.66 8.43 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-O 120.884 0.374 . . . . 0.0 110.028 -179.739 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.577 ' N ' HD12 ' A' ' 116' ' ' LEU . 8.1 mp -95.61 165.95 12.08 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.7 -0.481 . . . . 0.0 109.7 179.798 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 4.2 p -70.34 152.98 43.53 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.253 -0.579 . . . . 0.0 109.552 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 93.5 m-20 -63.18 -41.71 99.26 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.515 -0.474 . . . . 0.0 110.521 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -65.03 -31.23 72.37 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.776 -0.37 . . . . 0.0 110.422 179.859 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 15.6 tp10 -69.57 -43.08 73.59 Favored 'General case' 0 N--CA 1.448 -0.552 0 C-N-CA 120.545 -0.462 . . . . 0.0 109.97 179.142 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 79.1 t -65.49 -45.03 93.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 C-N-CA 120.606 -0.438 . . . . 0.0 109.971 -179.734 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -60.38 -41.61 94.16 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.71 -0.396 . . . . 0.0 110.456 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 83.8 mt-30 -64.93 -41.69 95.32 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 120.671 -0.412 . . . . 0.0 110.685 179.19 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 34.5 ttm -64.64 -42.4 95.48 Favored 'General case' 0 N--CA 1.449 -0.506 0 C-N-CA 120.82 -0.352 . . . . 0.0 110.204 179.798 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 7.1 mm -63.87 -45.77 96.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 121.129 0.49 . . . . 0.0 109.832 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -65.5 -42.84 91.66 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.852 179.113 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 42.3 tp10 -70.27 -36.27 74.31 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.961 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -73.2 -31.08 63.97 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.296 -179.432 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 129' ' ' ASP . . . . . 0.446 ' OD1' ' OD1' ' A' ' 133' ' ' ASP . 33.8 t0 -69.03 107.83 3.3 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.22 0.533 . . . . 0.0 111.748 -179.126 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.515 ' H ' ' CD ' ' A' ' 140' ' ' GLU . 39.5 tp -87.91 -31.74 19.29 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.589 179.806 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 39.4 m-20 -77.29 -11.51 59.84 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.925 -0.31 . . . . 0.0 111.672 -178.528 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 69.06 30.46 72.06 Favored Glycine 0 CA--C 1.526 0.764 0 C-N-CA 120.407 -0.901 . . . . 0.0 111.358 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 133' ' ' ASP . . . . . 0.446 ' OD1' ' OD1' ' A' ' 129' ' ' ASP . 37.9 p-10 -100.43 -13.38 18.75 Favored 'General case' 0 N--CA 1.467 0.425 0 CA-C-N 117.115 0.457 . . . . 0.0 110.537 179.79 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 90.08 -2.22 81.29 Favored Glycine 0 N--CA 1.459 0.227 0 N-CA-C 110.205 -1.158 . . . . 0.0 110.205 179.68 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 13.6 mt-30 -113.54 138.12 50.6 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.694 0.283 . . . . 0.0 110.58 -178.867 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 37.4 t -82.67 113.85 22.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 N-CA-C 108.256 -1.016 . . . . 0.0 108.256 178.38 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 137' ' ' ASN . . . . . 0.416 ' CG ' ' N ' ' A' ' 138' ' ' TYR . 22.7 t-20 -97.02 172.47 7.83 Favored 'General case' 0 N--CA 1.469 0.493 0 N-CA-C 110.116 -0.327 . . . . 0.0 110.116 179.671 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 138' ' ' TYR . . . . . 0.416 ' N ' ' CG ' ' A' ' 137' ' ' ASN . 88.0 t80 -49.89 -48.65 51.31 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 120.674 -0.41 . . . . 0.0 111.086 -178.686 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 80.7 tt0 -59.28 -45.25 91.73 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.784 -0.366 . . . . 0.0 111.135 -179.738 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 140' ' ' GLU . . . . . 0.515 ' CD ' ' H ' ' A' ' 130' ' ' LEU . 69.4 mt-10 -68.92 -40.54 78.99 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 120.22 -0.592 . . . . 0.0 110.092 179.622 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 74.7 t80 -60.56 -49.06 79.06 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.136 -0.69 . . . . 0.0 109.136 179.317 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 44.6 t -60.79 -47.28 93.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 179.175 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 65.2 tttm -61.18 -46.68 89.49 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.893 179.752 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 51.9 ttp -62.68 -40.39 96.94 Favored 'General case' 0 CA--C 1.513 -0.474 0 CA-C-O 121.572 0.701 . . . . 0.0 109.31 178.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 37.3 tpp -65.02 -36.42 84.34 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.135 -0.939 . . . . 0.0 109.987 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 146' ' ' MET . . . . . 0.424 ' C ' ' N ' ' A' ' 148' ' ' VAL . 70.5 mtp -63.52 -40.0 95.91 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.985 -0.376 . . . . 0.0 109.985 179.422 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 27.0 m -48.56 -17.21 0.15 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.519 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 148' ' ' VAL . . . . . 0.424 ' N ' ' C ' ' A' ' 146' ' ' MET . 17.5 t -82.9 -4.24 8.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.533 179.844 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 . . . . . 0 C--O 1.219 -0.545 0 CA-C-O 117.904 -1.046 . . . . 0.0 110.413 179.552 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 221' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 234' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 . . . . . 0 N--CA 1.49 1.558 0 N-CA-C 110.082 -0.34 . . . . 0.0 110.082 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -54.41 -48.25 71.82 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 120.19 -0.604 . . . . 0.0 109.997 -179.769 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.421 ' OE1' ' O ' ' A' ' 82' ' ' GLU . 3.4 tm-20 -62.3 -27.92 69.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.922 0.391 . . . . 0.0 110.756 179.746 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -73.0 -67.92 0.53 Allowed 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 109.054 -0.721 . . . . 0.0 109.054 179.773 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -46.7 -43.56 17.97 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.645 -0.422 . . . . 0.0 110.487 -179.124 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.647 ' O ' HD23 ' A' ' 85' ' ' LEU . 1.9 tt -61.48 -44.81 96.43 Favored 'General case' 0 C--N 1.333 -0.134 0 C-N-CA 120.294 -0.562 . . . . 0.0 110.557 179.715 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 34.2 ttmt -60.66 -37.13 80.54 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.345 -0.542 . . . . 0.0 110.532 179.107 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 9.0 tm-20 -68.64 -50.78 48.59 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-O 121.084 0.469 . . . . 0.0 110.265 179.57 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -52.89 -46.77 68.12 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-O 121.332 0.587 . . . . 0.0 110.128 179.572 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 46.4 t80 -56.18 -42.46 77.12 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.203 -0.453 . . . . 0.0 109.999 178.638 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.419 ' HG3' HE22 ' A' ' 96' ' ' GLN . 3.4 ttmp? -60.98 -32.07 71.64 Favored 'General case' 0 CA--C 1.53 0.187 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.478 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 91.1 t -70.18 -46.32 72.57 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.201 0 C-N-CA 120.579 -0.448 . . . . 0.0 110.484 179.848 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.402 ' O ' ' N ' ' A' ' 94' ' ' LYS . 2.7 m-85 -65.5 -34.07 77.4 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.447 -0.501 . . . . 0.0 110.311 -179.745 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 32.9 t0 -69.61 59.24 0.14 Allowed 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.44 -0.504 . . . . 0.0 111.032 -179.625 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.402 ' N ' ' O ' ' A' ' 92' ' ' PHE . 29.1 ttpt -50.6 -47.61 58.08 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.356 -0.538 . . . . 0.0 110.084 -179.136 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' ASP . . . . . 0.43 ' OD2' ' OE2' ' A' ' 104' ' ' GLU . 4.3 m-20 -69.1 -8.62 46.98 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.159 0.504 . . . . 0.0 110.092 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' GLN . . . . . 0.419 HE22 ' HG3' ' A' ' 90' ' ' LYS . 42.3 tp60 50.26 33.08 6.85 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.133 0.492 . . . . 0.0 110.088 -179.571 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 35.8 p-10 -93.57 8.61 40.1 Favored 'General case' 0 C--N 1.329 -0.312 0 O-C-N 121.949 -0.469 . . . . 0.0 111.307 -179.062 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 81.01 -7.93 58.57 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 111.293 -0.723 . . . . 0.0 111.293 179.684 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 39.8 m-85 -128.5 134.1 48.61 Favored 'General case' 0 N--CA 1.47 0.532 0 O-C-N 122.741 -0.27 . . . . 0.0 110.302 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 42.8 mt -83.92 125.72 40.19 Favored 'Isoleucine or valine' 0 C--O 1.235 0.31 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 178.765 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 20.0 t -86.23 155.9 20.51 Favored 'General case' 0 N--CA 1.471 0.619 0 CA-C-N 116.596 -0.275 . . . . 0.0 110.456 -179.123 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -52.93 -43.37 66.21 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.212 -0.595 . . . . 0.0 110.121 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' SER . . . . . 0.466 ' O ' ' CE1' ' A' ' 107' ' ' HIS . 49.7 m -58.88 -38.49 78.94 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-O 120.982 0.42 . . . . 0.0 110.446 179.388 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.43 ' OE2' ' OD2' ' A' ' 95' ' ' ASP . 93.3 mt-10 -69.14 -38.85 79.03 Favored 'General case' 0 N--CA 1.444 -0.763 0 C-N-CA 120.5 -0.48 . . . . 0.0 110.173 -179.856 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 27.6 tp -62.54 -42.73 99.72 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-O 121.358 0.599 . . . . 0.0 110.283 179.177 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 85.5 mtp180 -57.59 -46.37 84.11 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.356 -0.538 . . . . 0.0 110.28 178.861 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' HIS . . . . . 0.466 ' CE1' ' O ' ' A' ' 103' ' ' SER . 21.8 m170 -56.34 -41.01 75.39 Favored 'General case' 0 N--CA 1.456 -0.135 0 N-CA-C 109.673 -0.492 . . . . 0.0 109.673 179.608 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 82.5 t -61.78 -47.57 92.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.188 179.3 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' MET . . . . . 0.519 ' SD ' ' N ' ' A' ' 109' ' ' MET . 0.0 OUTLIER -58.9 -43.93 91.14 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.469 -0.492 . . . . 0.0 110.121 -179.884 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.606 HG23 ' NZ ' ' A' ' 115' ' ' LYS . 92.6 mt -62.65 -42.76 97.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 C-N-CA 120.436 -0.506 . . . . 0.0 109.993 179.061 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 111' ' ' ASN . . . . . 0.4 ' OD1' ' C ' ' A' ' 111' ' ' ASN . 19.3 t-20 -64.04 -36.93 85.61 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.092 0.472 . . . . 0.0 109.94 -179.608 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -69.15 -5.51 22.91 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.04 179.846 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 85.02 15.88 66.29 Favored Glycine 0 CA--C 1.526 0.745 0 N-CA-C 110.926 -0.869 . . . . 0.0 110.926 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 19.3 pt-20 -122.16 139.22 54.01 Favored 'General case' 0 N--CA 1.467 0.42 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 179.71 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.606 ' NZ ' HG23 ' A' ' 110' ' ' ILE . 10.8 mttp -130.72 113.8 14.58 Favored 'General case' 0 N--CA 1.467 0.408 0 N-CA-C 109.961 -0.385 . . . . 0.0 109.961 -179.662 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 45.0 mt -108.22 154.99 20.96 Favored 'General case' 0 N--CA 1.464 0.271 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 179.798 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 60.7 p -67.82 165.11 18.17 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.044 -0.662 . . . . 0.0 109.572 -179.515 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -62.38 -39.84 94.51 Favored 'General case' 0 C--N 1.332 -0.164 0 C-N-CA 120.32 -0.552 . . . . 0.0 110.799 -179.791 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -57.29 -36.52 71.15 Favored 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 120.718 -0.393 . . . . 0.0 110.603 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -71.6 -47.79 52.41 Favored 'General case' 0 N--CA 1.448 -0.565 0 C-N-CA 120.611 -0.436 . . . . 0.0 110.202 179.329 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 73.3 t -63.48 -47.11 93.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 C-N-CA 120.628 -0.429 . . . . 0.0 110.054 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 79.2 mt-10 -62.72 -39.54 94.38 Favored 'General case' 0 C--N 1.332 -0.189 0 C-N-CA 120.581 -0.447 . . . . 0.0 110.321 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 69.6 tp60 -70.34 -38.64 74.9 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 120.604 -0.438 . . . . 0.0 110.607 179.121 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 41.0 tpp -65.07 -41.93 94.61 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-O 120.949 0.404 . . . . 0.0 110.22 -179.109 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 125' ' ' ILE . . . . . 0.5 ' O ' ' N ' ' A' ' 129' ' ' ASP . 58.1 mt -64.82 -46.21 92.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-O 121.189 0.519 . . . . 0.0 109.93 179.774 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -63.42 -42.57 98.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.522 179.394 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 33.2 tp10 -70.34 -33.01 70.96 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.12 0.486 . . . . 0.0 110.972 178.681 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -85.64 -29.37 24.1 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.791 -179.314 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 129' ' ' ASP . . . . . 0.5 ' N ' ' O ' ' A' ' 125' ' ' ILE . 35.4 t0 -61.98 93.69 0.05 OUTLIER 'General case' 0 CA--C 1.516 -0.35 0 C-N-CA 120.369 -0.533 . . . . 0.0 111.369 -179.079 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 3.8 tt -72.66 -36.3 67.91 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.443 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 131' ' ' ASP . . . . . 0.461 ' OD2' ' OE2' ' A' ' 140' ' ' GLU . 27.5 m-20 -76.21 -9.6 58.75 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 120.806 -0.358 . . . . 0.0 111.435 -178.475 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 65.73 30.52 77.46 Favored Glycine 0 CA--C 1.531 1.081 0 C-N-CA 120.185 -1.007 . . . . 0.0 111.374 -179.869 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 133' ' ' ASP . . . . . 0.468 ' N ' ' OD2' ' A' ' 129' ' ' ASP . 26.7 p-10 -99.61 -10.87 21.49 Favored 'General case' 0 C--N 1.337 0.065 0 O-C-N 122.316 -0.52 . . . . 0.0 110.379 179.679 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 84.37 2.89 88.96 Favored Glycine 0 C--N 1.331 0.28 0 N-CA-C 110.363 -1.095 . . . . 0.0 110.363 179.824 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 10.4 mt-30 -114.34 141.96 46.95 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-O 120.715 0.293 . . . . 0.0 110.571 -179.057 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 11.0 t -90.88 100.64 11.46 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.228 0 N-CA-C 108.429 -0.952 . . . . 0.0 108.429 178.757 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 137' ' ' ASN . . . . . 0.615 ' H ' ' CG ' ' A' ' 140' ' ' GLU . 61.2 t30 -97.98 -174.46 2.87 Favored 'General case' 0 N--CA 1.467 0.381 0 N-CA-C 110.06 -0.348 . . . . 0.0 110.06 -178.756 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 138' ' ' TYR . . . . . 0.517 ' CE2' HG21 ' A' ' 142' ' ' VAL . 43.7 t80 -54.71 -47.02 74.24 Favored 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 120.515 -0.474 . . . . 0.0 111.356 -178.804 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -60.7 -52.1 66.54 Favored 'General case' 0 CA--C 1.519 -0.233 0 C-N-CA 120.603 -0.439 . . . . 0.0 111.55 -177.489 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 140' ' ' GLU . . . . . 0.615 ' CG ' ' H ' ' A' ' 137' ' ' ASN . 0.5 OUTLIER -66.92 -38.69 86.67 Favored 'General case' 0 C--N 1.312 -1.055 0 C-N-CA 120.348 -0.541 . . . . 0.0 110.108 -179.843 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 141' ' ' PHE . . . . . 0.455 ' O ' ' N ' ' A' ' 145' ' ' MET . 42.0 t80 -62.02 -50.52 71.7 Favored 'General case' 0 C--N 1.334 -0.102 0 N-CA-C 109.036 -0.727 . . . . 0.0 109.036 -179.703 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 142' ' ' VAL . . . . . 0.517 HG21 ' CE2' ' A' ' 138' ' ' TYR . 24.6 t -60.25 -46.5 94.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 -179.422 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 63.8 tttp -61.83 -49.69 75.29 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.83 -0.623 . . . . 0.0 109.838 179.181 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 48.7 ttp -63.96 -40.4 96.34 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.567 0.699 . . . . 0.0 109.289 179.122 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 145' ' ' MET . . . . . 0.455 ' N ' ' O ' ' A' ' 141' ' ' PHE . 29.0 ttm -62.13 -39.32 92.15 Favored 'General case' 0 N--CA 1.442 -0.835 0 CA-C-N 115.198 -0.91 . . . . 0.0 109.706 -179.109 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 78.7 mtp -66.99 -39.81 87.24 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 120.642 -0.423 . . . . 0.0 110.1 179.856 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 98.9 m -55.9 -18.41 8.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.483 -179.592 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 95.5 t -54.19 -47.02 68.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.178 -179.494 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 97.2 mtt180 . . . . . 0 C--O 1.218 -0.597 0 CA-C-O 118.043 -0.98 . . . . 0.0 110.29 179.742 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 221' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 234' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 . . . . . 0 N--CA 1.49 1.574 0 N-CA-C 110.129 -0.323 . . . . 0.0 110.129 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -56.32 -48.66 76.27 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 120.446 -0.502 . . . . 0.0 110.008 -179.861 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 44.9 tp10 -66.45 -33.71 76.3 Favored 'General case' 0 N--CA 1.451 -0.389 0 C-N-CA 120.977 -0.289 . . . . 0.0 110.565 -179.712 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 71.7 mm-40 -58.93 -72.04 0.11 Allowed 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 179.097 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 65.8 mm-40 -45.46 -46.33 13.57 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.686 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.402 HD23 ' O ' ' A' ' 85' ' ' LEU . 0.9 OUTLIER -63.04 -43.03 99.8 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.303 -0.559 . . . . 0.0 109.963 -179.624 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -62.56 -39.15 92.74 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.416 -0.514 . . . . 0.0 109.973 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 81.0 tt0 -69.63 -50.21 46.39 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.612 -0.435 . . . . 0.0 110.325 179.567 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -54.85 -46.87 74.72 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 120.602 -0.439 . . . . 0.0 110.007 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.418 ' CD1' ' C ' ' A' ' 89' ' ' PHE . 27.6 t80 -56.33 -44.27 79.82 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.861 -0.422 . . . . 0.0 109.861 179.606 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 17.3 mmmt -61.84 -30.7 71.02 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.028 179.592 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 70.8 t -71.35 -46.16 66.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 C-N-CA 120.603 -0.439 . . . . 0.0 111.018 179.37 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -66.36 -33.35 75.52 Favored 'General case' 0 CA--C 1.513 -0.479 0 C-N-CA 120.723 -0.391 . . . . 0.0 110.724 -179.701 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.592 ' O ' ' N ' ' A' ' 96' ' ' GLN . 33.8 t0 -81.52 55.81 2.76 Favored 'General case' 0 C--N 1.321 -0.631 0 C-N-CA 120.699 -0.4 . . . . 0.0 111.629 -179.253 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -43.06 -36.26 1.56 Allowed 'General case' 0 CA--C 1.53 0.2 0 C-N-CA 120.584 -0.446 . . . . 0.0 110.084 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' ASP . . . . . 0.422 ' OD1' ' O ' ' A' ' 95' ' ' ASP . 43.4 t0 -68.59 -19.25 64.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.525 179.738 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' GLN . . . . . 0.592 ' N ' ' O ' ' A' ' 93' ' ' ASP . 87.0 mt-30 54.27 33.03 17.34 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.654 179.862 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 97' ' ' ASN . . . . . 0.696 ' ND2' ' H ' ' A' ' 99' ' ' TYR . 0.0 OUTLIER -92.32 6.6 46.24 Favored 'General case' 0 N--CA 1.464 0.227 0 C-N-CA 121.052 -0.259 . . . . 0.0 111.111 -179.54 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 98' ' ' GLY . . . . . 0.43 ' N ' HD22 ' A' ' 97' ' ' ASN . . . 81.88 -3.89 77.63 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 111.459 -0.656 . . . . 0.0 111.459 179.58 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.696 ' H ' ' ND2' ' A' ' 97' ' ' ASN . 40.3 m-85 -133.77 137.11 44.97 Favored 'General case' 0 N--CA 1.467 0.412 0 O-C-N 122.746 -0.267 . . . . 0.0 110.355 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 54.2 mt -87.52 126.84 41.16 Favored 'Isoleucine or valine' 0 C--O 1.235 0.291 0 N-CA-C 108.745 -0.835 . . . . 0.0 108.745 178.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 30.3 m -94.33 163.1 13.57 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.77 -179.026 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -52.91 -43.88 66.56 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.415 -0.514 . . . . 0.0 109.745 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' SER . . . . . 0.403 ' HA ' ' HE ' ' A' ' 106' ' ' ARG . 66.0 m -58.12 -38.51 76.65 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 120.87 -0.332 . . . . 0.0 110.363 179.61 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -76.2 -40.22 52.84 Favored 'General case' 0 N--CA 1.441 -0.916 0 C-N-CA 120.784 -0.367 . . . . 0.0 110.131 179.065 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.575 HD13 ' O ' ' A' ' 105' ' ' LEU . 0.3 OUTLIER -61.42 -47.18 86.93 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-O 121.222 0.534 . . . . 0.0 110.378 -179.453 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.416 ' HG3' ' N ' ' A' ' 107' ' ' HIS . 50.4 ptt85 -64.16 -42.96 96.51 Favored 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 120.487 -0.485 . . . . 0.0 109.86 179.812 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 107' ' ' HIS . . . . . 0.416 ' N ' ' HG3' ' A' ' 106' ' ' ARG . 45.3 t60 -53.06 -40.65 64.17 Favored 'General case' 0 CA--C 1.521 -0.155 0 N-CA-C 109.557 -0.534 . . . . 0.0 109.557 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 53.2 t -65.11 -40.39 88.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.028 178.72 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 21.7 mmt -61.84 -44.91 95.89 Favored 'General case' 0 C--N 1.332 -0.156 0 C-N-CA 120.41 -0.516 . . . . 0.0 110.337 -179.39 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 2.1 mp -64.22 -44.61 97.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 C-N-CA 120.359 -0.537 . . . . 0.0 109.905 179.283 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -61.8 -34.6 76.2 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.662 -0.496 . . . . 0.0 109.662 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 43.9 mt -76.43 -4.64 43.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.057 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 82.8 17.29 68.22 Favored Glycine 0 CA--C 1.525 0.71 0 N-CA-C 110.706 -0.957 . . . . 0.0 110.706 179.827 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -115.94 133.83 55.61 Favored 'General case' 0 N--CA 1.466 0.345 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 179.682 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.443 ' C ' HD22 ' A' ' 116' ' ' LEU . 12.7 ptpt -132.65 110.29 10.32 Favored 'General case' 0 N--CA 1.47 0.56 0 N-CA-C 110.205 -0.294 . . . . 0.0 110.205 -179.856 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.884 HD22 ' N ' ' A' ' 116' ' ' LEU . 0.9 OUTLIER -108.02 162.38 14.09 Favored 'General case' 0 N--CA 1.468 0.436 0 N-CA-C 109.63 -0.507 . . . . 0.0 109.63 -179.962 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 14.6 p -71.89 163.36 27.97 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -62.29 -38.76 90.6 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.549 -0.461 . . . . 0.0 110.405 -179.647 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -60.99 -33.35 73.11 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 120.77 -0.372 . . . . 0.0 110.702 179.835 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 72.7 mm-40 -73.28 -49.1 29.5 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.567 -0.453 . . . . 0.0 110.477 179.002 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 86.3 t -61.93 -47.81 91.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 C-N-CA 120.587 -0.445 . . . . 0.0 110.076 179.866 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -60.5 -39.31 87.26 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 120.797 -0.361 . . . . 0.0 110.178 179.678 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 69.9 mm-40 -68.68 -41.48 79.18 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.65 -0.42 . . . . 0.0 110.681 179.237 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 59.1 mtt -65.3 -43.14 92.04 Favored 'General case' 0 N--CA 1.445 -0.691 0 C-N-CA 120.709 -0.396 . . . . 0.0 110.769 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 125' ' ' ILE . . . . . 0.401 HG23 HG23 ' A' ' 136' ' ' VAL . 59.1 mt -64.92 -45.88 93.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 121.309 0.576 . . . . 0.0 109.77 178.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 27.2 mmtp -64.12 -41.68 97.15 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.659 -0.701 . . . . 0.0 110.64 179.524 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 81.3 tt0 -71.84 -33.62 68.61 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.698 179.616 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -83.17 -28.32 29.43 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.859 -179.467 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 129' ' ' ASP . . . . . 0.435 ' OD1' ' OD1' ' A' ' 133' ' ' ASP . 26.7 t70 -71.5 112.05 7.31 Favored 'General case' 0 CA--C 1.511 -0.55 0 CA-C-O 121.17 0.509 . . . . 0.0 111.789 -179.211 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 8.2 tp -88.8 -24.33 22.63 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.756 -0.657 . . . . 0.0 111.613 179.544 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 131' ' ' ASP . . . . . 0.438 ' C ' ' H ' ' A' ' 133' ' ' ASP . 50.2 m-20 -82.71 -4.68 58.2 Favored 'General case' 0 C--N 1.331 -0.2 0 C-N-CA 120.979 -0.289 . . . . 0.0 111.756 -178.57 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 67.29 -7.05 1.99 Allowed Glycine 0 CA--C 1.527 0.792 0 C-N-CA 120.421 -0.895 . . . . 0.0 111.386 179.825 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 133' ' ' ASP . . . . . 0.461 ' OD1' ' N ' ' A' ' 133' ' ' ASP . 30.2 p-10 -65.48 -13.35 58.64 Favored 'General case' 0 C--N 1.333 -0.115 0 C-N-CA 120.645 -0.422 . . . . 0.0 110.157 -179.543 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 80.57 12.39 82.99 Favored Glycine 0 C--N 1.329 0.147 0 N-CA-C 110.513 -1.035 . . . . 0.0 110.513 179.561 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 9.7 mt-30 -112.02 142.69 44.13 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.768 0.318 . . . . 0.0 110.459 -178.845 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 136' ' ' VAL . . . . . 0.401 HG23 HG23 ' A' ' 125' ' ' ILE . 98.6 t -90.2 105.06 15.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 178.456 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 137' ' ' ASN . . . . . 0.552 ' ND2' ' CE2' ' A' ' 99' ' ' TYR . 19.9 t-20 -96.84 172.41 7.89 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-O 120.729 0.299 . . . . 0.0 110.233 -179.862 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 30.3 t80 -53.37 -44.52 68.65 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.758 -0.377 . . . . 0.0 110.879 -178.768 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 12.7 tm-20 -60.58 -45.91 92.19 Favored 'General case' 0 C--O 1.223 -0.319 0 C-N-CA 120.815 -0.354 . . . . 0.0 110.946 -179.342 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -71.61 -37.73 70.91 Favored 'General case' 0 C--N 1.317 -0.845 0 C-N-CA 119.936 -0.706 . . . . 0.0 109.882 179.322 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 55.0 t80 -62.69 -54.31 41.18 Favored 'General case' 0 N--CA 1.453 -0.324 0 C-N-CA 120.084 -0.646 . . . . 0.0 110.294 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 142' ' ' VAL . . . . . 0.532 HG13 ' N ' ' A' ' 143' ' ' LYS . 7.5 p -59.91 -43.94 93.31 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.278 0 CA-C-O 121.357 0.598 . . . . 0.0 109.642 -179.41 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 143' ' ' LYS . . . . . 0.532 ' N ' HG13 ' A' ' 142' ' ' VAL . 20.1 tptm -63.03 -49.27 75.26 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.072 179.872 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 14.2 tmm? -64.52 -37.71 88.49 Favored 'General case' 0 CA--C 1.51 -0.564 0 CA-C-O 121.646 0.736 . . . . 0.0 109.184 178.814 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 145' ' ' MET . . . . . 0.56 ' O ' HG13 ' A' ' 148' ' ' VAL . 35.9 tpp -60.47 -35.3 75.56 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 114.898 -1.046 . . . . 0.0 109.268 -179.785 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 146' ' ' MET . . . . . 0.433 ' C ' ' N ' ' A' ' 148' ' ' VAL . 54.1 mmm -74.68 -44.49 49.93 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 120.949 -0.301 . . . . 0.0 110.279 179.104 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 25.3 m -46.15 -18.53 0.05 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.67 -179.279 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 148' ' ' VAL . . . . . 0.56 HG13 ' O ' ' A' ' 145' ' ' MET . 13.0 m -56.04 -43.86 76.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.568 -179.446 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 149' ' ' ARG . . . . . 0.506 ' N ' HG23 ' A' ' 148' ' ' VAL . 75.0 ttt-85 . . . . . 0 C--O 1.219 -0.541 0 CA-C-O 117.954 -1.022 . . . . 0.0 110.208 179.156 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 221' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 234' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 33.0 tp10 . . . . . 0 C--O 1.231 0.091 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 50.6 tp10 -46.88 -44.87 19.98 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.694 -0.402 . . . . 0.0 110.269 -179.817 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 78.7 mt -63.34 -44.39 95.0 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 120.379 -0.528 . . . . 0.0 110.514 179.656 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -63.69 -40.57 97.14 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.63 -0.428 . . . . 0.0 110.313 179.348 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -61.82 -57.42 11.92 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 120.557 -0.457 . . . . 0.0 110.227 179.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -51.86 -44.31 63.61 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.517 -0.473 . . . . 0.0 109.823 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 40.7 t80 -56.94 -43.45 81.54 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 110.028 -0.36 . . . . 0.0 110.028 179.215 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 21.3 tptm -60.99 -32.8 72.36 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.649 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 95.7 t -69.86 -46.74 72.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 C-N-CA 120.62 -0.432 . . . . 0.0 110.725 179.542 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -64.98 -34.12 77.68 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.629 -0.428 . . . . 0.0 110.39 179.809 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.473 ' O ' ' N ' ' A' ' 96' ' ' GLN . 30.1 t0 -71.62 59.73 0.32 Allowed 'General case' 0 C--N 1.323 -0.583 0 C-N-CA 120.625 -0.43 . . . . 0.0 110.674 -179.379 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 64.6 tttm -48.16 -45.93 33.96 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.48 -0.488 . . . . 0.0 110.023 -179.229 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . 0.436 ' OD2' ' OE2' ' A' ' 104' ' ' GLU . 5.4 m-20 -72.16 -8.89 57.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.938 0.399 . . . . 0.0 110.199 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . 0.473 ' N ' ' O ' ' A' ' 93' ' ' ASP . 37.7 tt0 52.08 32.37 10.26 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.005 -179.668 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . 0.435 ' OD1' ' O ' ' A' ' 99' ' ' TYR . 46.7 p-10 -89.37 8.67 29.47 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 120.817 -0.353 . . . . 0.0 111.194 -179.104 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . 0.456 ' N ' ' OD2' ' A' ' 93' ' ' ASP . . . 79.15 -6.65 56.01 Favored Glycine 0 CA--C 1.526 0.723 0 N-CA-C 111.468 -0.653 . . . . 0.0 111.468 179.435 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.435 ' O ' ' OD1' ' A' ' 97' ' ' ASN . 34.9 m-85 -130.27 134.61 47.35 Favored 'General case' 0 N--CA 1.467 0.408 0 N-CA-C 110.234 -0.284 . . . . 0.0 110.234 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.407 HG21 HD13 ' A' ' 100' ' ' ILE . 16.0 mt -84.16 128.2 39.09 Favored 'Isoleucine or valine' 0 C--O 1.236 0.373 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 179.027 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 5.3 p -94.01 156.86 16.38 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.554 -179.28 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -52.88 -42.61 65.46 Favored 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 120.381 -0.528 . . . . 0.0 110.047 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . 0.45 ' HA ' ' HE ' ' A' ' 106' ' ' ARG . 50.5 m -59.77 -41.58 91.39 Favored 'General case' 0 C--N 1.331 -0.207 0 C-N-CA 120.772 -0.371 . . . . 0.0 110.669 179.516 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.436 ' OE2' ' OD2' ' A' ' 95' ' ' ASP . 87.8 mt-10 -64.07 -38.96 92.97 Favored 'General case' 0 N--CA 1.443 -0.808 0 C-N-CA 120.67 -0.412 . . . . 0.0 110.354 179.545 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.417 HD23 HD11 ' A' ' 125' ' ' ILE . 26.2 tp -63.97 -43.87 94.45 Favored 'General case' 0 CA--C 1.53 0.191 0 CA-C-O 121.042 0.449 . . . . 0.0 110.214 179.205 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . 0.45 ' HE ' ' HA ' ' A' ' 103' ' ' SER . 84.8 mtm180 -59.23 -49.94 75.92 Favored 'General case' 0 C--O 1.218 -0.581 0 C-N-CA 120.344 -0.542 . . . . 0.0 110.347 -179.691 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 11.8 t-80 -53.68 -40.45 65.96 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 120.696 -0.402 . . . . 0.0 110.065 179.429 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 77.7 t -63.49 -43.54 98.4 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 N-CA-C 109.89 -0.411 . . . . 0.0 109.89 179.144 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 14.5 mmt -57.33 -41.46 80.01 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.483 -0.487 . . . . 0.0 109.973 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.403 HG12 ' O ' ' A' ' 106' ' ' ARG . 11.5 mm -65.29 -42.98 95.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 C-N-CA 120.648 -0.421 . . . . 0.0 109.875 179.218 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 15.1 t30 -59.52 -36.82 76.83 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.152 179.594 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 9.0 mp -77.01 -4.22 43.07 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.927 179.566 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 78.83 19.75 72.34 Favored Glycine 0 CA--C 1.526 0.738 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -117.68 138.54 51.92 Favored 'General case' 0 N--CA 1.466 0.348 0 N-CA-C 109.748 -0.464 . . . . 0.0 109.748 179.59 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -137.44 112.64 9.17 Favored 'General case' 0 N--CA 1.468 0.461 0 N-CA-C 110.192 -0.299 . . . . 0.0 110.192 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 48.5 mt -102.65 163.16 12.38 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 109.646 -0.501 . . . . 0.0 109.646 179.735 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 1.2 m -68.54 162.14 26.37 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.126 -0.63 . . . . 0.0 109.632 -179.755 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 91.0 m-20 -60.3 -38.62 84.2 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.376 -0.53 . . . . 0.0 110.23 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -65.6 -31.89 73.17 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.754 -0.378 . . . . 0.0 110.497 179.325 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . 0.546 ' OE1' ' N ' ' A' ' 120' ' ' GLU . 0.2 OUTLIER -70.51 -49.29 49.82 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.471 -0.492 . . . . 0.0 110.259 179.26 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 85.7 t -63.54 -47.29 92.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 C-N-CA 120.521 -0.472 . . . . 0.0 110.216 179.735 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 44.2 tp10 -56.54 -39.05 72.74 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.796 -0.362 . . . . 0.0 110.41 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 81.8 mt-30 -67.24 -37.95 84.39 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 120.703 -0.399 . . . . 0.0 110.737 179.015 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 39.2 ttm -63.12 -44.18 96.34 Favored 'General case' 0 N--CA 1.45 -0.461 0 C-N-CA 120.78 -0.368 . . . . 0.0 110.417 -179.651 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . 0.417 HD11 HD23 ' A' ' 105' ' ' LEU . 48.1 mm -61.54 -48.72 87.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 C-N-CA 120.585 -0.446 . . . . 0.0 110.048 179.189 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 48.7 mtmt -64.52 -44.94 89.29 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.239 179.548 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 81.2 tt0 -66.49 -38.43 87.24 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.14 -179.767 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -75.87 -29.9 58.69 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.441 -179.069 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . 0.545 ' OD2' ' N ' ' A' ' 133' ' ' ASP . 33.1 t0 -75.81 115.21 15.28 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.186 0.517 . . . . 0.0 111.897 -178.834 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 53.7 tp -85.32 -27.27 26.03 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.379 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . 0.455 ' OD1' ' OD1' ' A' ' 129' ' ' ASP . 44.1 p30 -100.29 12.26 37.51 Favored 'General case' 0 N--CA 1.465 0.275 0 C-N-CA 121.156 -0.217 . . . . 0.0 111.378 -178.784 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 44.94 26.22 1.14 Allowed Glycine 0 CA--C 1.529 0.957 0 C-N-CA 120.361 -0.923 . . . . 0.0 111.345 179.674 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . 0.545 ' N ' ' OD2' ' A' ' 129' ' ' ASP . 19.0 p-10 -72.03 -16.65 62.05 Favored 'General case' 0 N--CA 1.462 0.155 0 C-N-CA 120.713 -0.395 . . . . 0.0 110.472 179.593 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 94.0 -10.59 71.83 Favored Glycine 0 C--O 1.229 -0.21 0 N-CA-C 110.382 -1.087 . . . . 0.0 110.382 179.643 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 22.7 mt-30 -117.69 138.88 51.7 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-O 120.676 0.274 . . . . 0.0 110.682 -178.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 75.3 t -81.86 116.2 25.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 N-CA-C 108.538 -0.912 . . . . 0.0 108.538 178.639 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 18.1 t-20 -93.02 165.43 12.86 Favored 'General case' 0 N--CA 1.469 0.504 0 N-CA-C 109.943 -0.391 . . . . 0.0 109.943 179.653 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 85.1 t80 -49.52 -48.75 47.93 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.532 -0.467 . . . . 0.0 111.017 -178.767 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . 0.436 ' CG ' ' N ' ' A' ' 140' ' ' GLU . 6.5 pt-20 -58.01 -41.48 83.17 Favored 'General case' 0 C--O 1.225 -0.223 0 CA-C-O 121.026 0.441 . . . . 0.0 110.972 -179.229 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . 0.436 ' N ' ' CG ' ' A' ' 139' ' ' GLU . 82.8 mt-10 -70.13 -39.23 75.54 Favored 'General case' 0 C--N 1.321 -0.636 0 C-N-CA 120.052 -0.659 . . . . 0.0 109.82 179.736 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 58.6 t80 -62.78 -55.79 23.37 Favored 'General case' 0 N--CA 1.452 -0.335 0 C-N-CA 120.184 -0.606 . . . . 0.0 110.354 -179.646 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . 0.51 HG13 ' N ' ' A' ' 143' ' ' LYS . 14.8 p -57.59 -43.32 83.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 -179.755 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 143' ' ' LYS . . . . . 0.51 ' N ' HG13 ' A' ' 142' ' ' VAL . 55.7 tttp -60.79 -49.51 77.18 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.889 -0.596 . . . . 0.0 109.794 179.109 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 56.8 ttp -62.24 -39.07 91.64 Favored 'General case' 0 CA--C 1.514 -0.406 0 CA-C-O 121.439 0.638 . . . . 0.0 109.333 178.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 39.4 ttm -64.88 -39.07 92.96 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 115.155 -0.929 . . . . 0.0 109.978 179.787 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 87.2 mtp -63.72 -37.23 86.59 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 110.026 -0.361 . . . . 0.0 110.026 179.443 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 98.2 m . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.475 -179.791 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 14.1 tm-20 . . . . . 0 N--CA 1.456 -0.13 0 N-CA-C 109.022 -0.733 . . . . 0.0 109.022 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -45.45 -44.99 12.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.493 -179.747 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 80.5 mt -61.88 -44.9 95.87 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 120.36 -0.536 . . . . 0.0 110.44 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.411 ' HZ3' ' HB3' ' A' ' 86' ' ' LYS . 0.5 OUTLIER -63.73 -42.31 97.92 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 120.387 -0.525 . . . . 0.0 110.452 179.402 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 14.0 tm-20 -64.96 -55.03 21.51 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 120.463 -0.495 . . . . 0.0 110.22 179.772 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -51.69 -44.75 63.23 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 120.45 -0.5 . . . . 0.0 109.685 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 44.7 t80 -56.15 -46.28 79.33 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.738 -0.385 . . . . 0.0 110.158 179.622 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -58.42 -32.91 69.1 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.522 -0.308 . . . . 0.0 110.792 179.224 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 91.6 t -69.15 -47.32 75.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 C-N-CA 120.589 -0.445 . . . . 0.0 110.868 179.226 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -65.14 -34.77 79.18 Favored 'General case' 0 CA--C 1.517 -0.308 0 C-N-CA 120.726 -0.39 . . . . 0.0 110.367 179.596 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.443 ' OD2' ' N ' ' A' ' 98' ' ' GLY . 43.1 t0 -73.03 61.94 0.6 Allowed 'General case' 0 C--N 1.323 -0.567 0 C-N-CA 120.688 -0.405 . . . . 0.0 110.476 -179.353 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -50.61 -46.45 58.05 Favored 'General case' 0 C--N 1.333 -0.145 0 C-N-CA 120.472 -0.491 . . . . 0.0 110.154 -179.275 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . 0.461 ' OD2' ' OE2' ' A' ' 104' ' ' GLU . 4.9 m-20 -70.12 -5.56 27.9 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.931 0.396 . . . . 0.0 110.194 -179.866 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 43.7 tp60 49.25 26.11 1.43 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.238 -179.522 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 39.2 p-10 -80.69 2.61 25.2 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 120.763 -0.375 . . . . 0.0 111.187 -179.247 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . 0.443 ' N ' ' OD2' ' A' ' 93' ' ' ASP . . . 84.88 -6.4 78.77 Favored Glycine 0 CA--C 1.527 0.807 0 N-CA-C 111.252 -0.739 . . . . 0.0 111.252 179.628 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 68.7 m-85 -132.05 136.71 47.41 Favored 'General case' 0 N--CA 1.468 0.436 0 N-CA-C 110.235 -0.283 . . . . 0.0 110.235 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 20.9 mt -82.68 123.67 38.66 Favored 'Isoleucine or valine' 0 C--O 1.235 0.317 0 N-CA-C 108.844 -0.798 . . . . 0.0 108.844 179.175 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 9.2 p -89.02 155.08 19.7 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.715 -179.229 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -53.89 -42.88 69.17 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.374 -0.531 . . . . 0.0 109.958 179.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 49.7 m -59.2 -41.88 89.61 Favored 'General case' 0 C--O 1.234 0.283 0 C-N-CA 120.754 -0.378 . . . . 0.0 110.533 179.677 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.461 ' OE2' ' OD2' ' A' ' 95' ' ' ASP . 91.7 mt-10 -64.7 -37.83 88.91 Favored 'General case' 0 N--CA 1.443 -0.783 0 C-N-CA 120.667 -0.413 . . . . 0.0 110.436 179.274 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 32.6 tp -62.41 -42.3 99.33 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-O 120.804 0.335 . . . . 0.0 110.155 179.248 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 96.3 mtt-85 -61.4 -46.05 91.79 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.512 -0.475 . . . . 0.0 109.907 -179.619 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 11.8 t-160 -57.95 -42.84 85.78 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 120.499 -0.48 . . . . 0.0 109.758 179.386 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.408 HG23 ' O ' ' A' ' 104' ' ' GLU . 79.4 t -62.36 -46.62 96.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 C-N-CA 120.67 -0.412 . . . . 0.0 110.041 179.332 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . 0.705 ' SD ' HD23 ' A' ' 116' ' ' LEU . 43.6 mtt -58.56 -41.77 86.39 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.586 -0.446 . . . . 0.0 110.028 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 97.2 mt -64.78 -43.42 96.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 C-N-CA 120.575 -0.45 . . . . 0.0 109.922 178.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 24.6 t-20 -60.83 -35.54 76.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.172 179.703 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 8.6 mp -76.32 -3.29 35.95 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.087 179.517 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 80.43 15.94 77.13 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -112.93 132.02 55.5 Favored 'General case' 0 N--CA 1.467 0.385 0 N-CA-C 109.57 -0.53 . . . . 0.0 109.57 179.661 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 15.9 pttp -130.46 107.49 9.27 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-O 120.871 0.367 . . . . 0.0 110.457 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.871 HD22 ' N ' ' A' ' 116' ' ' LEU . 0.8 OUTLIER -101.32 157.44 16.79 Favored 'General case' 0 CA--C 1.516 -0.349 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . 0.4 HG22 ' N ' ' A' ' 118' ' ' ASP . 11.6 m -65.02 160.34 21.12 Favored 'General case' 0 N--CA 1.453 -0.301 0 N-CA-C 109.408 -0.589 . . . . 0.0 109.408 -179.693 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . 0.4 ' N ' HG22 ' A' ' 117' ' ' THR . 93.4 m-20 -61.09 -38.99 88.24 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.535 -0.466 . . . . 0.0 110.323 -179.588 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -61.45 -32.46 72.45 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.705 -0.398 . . . . 0.0 110.461 179.773 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -72.54 -48.86 36.87 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 120.544 -0.463 . . . . 0.0 110.463 179.087 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 91.9 t -62.17 -47.24 94.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 C-N-CA 120.578 -0.449 . . . . 0.0 109.914 179.677 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 69.2 mm-40 -58.39 -38.45 77.35 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.715 -0.394 . . . . 0.0 110.494 179.578 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 19.8 mt-30 -69.48 -39.4 77.69 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 120.667 -0.413 . . . . 0.0 110.679 178.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 58.2 ttm -61.41 -44.44 97.13 Favored 'General case' 0 N--CA 1.449 -0.511 0 C-N-CA 120.735 -0.386 . . . . 0.0 110.413 -179.691 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 43.4 mm -62.78 -47.35 93.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 N-CA-C 109.689 -0.485 . . . . 0.0 109.689 179.841 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 53.2 mtmt -65.15 -44.0 89.99 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.923 179.077 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 38.9 tp10 -67.17 -37.15 83.26 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.64 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -76.26 -28.94 57.27 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.203 -179.53 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 87.2 m-20 -77.21 116.3 17.72 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.289 0.566 . . . . 0.0 111.417 -179.221 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 5.9 tt -82.17 -26.31 33.52 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.408 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 40.3 p30 -108.17 15.3 24.3 Favored 'General case' 0 N--CA 1.467 0.394 0 N-CA-C 111.629 0.233 . . . . 0.0 111.629 -179.193 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 39.75 52.44 3.15 Favored Glycine 0 CA--C 1.529 0.919 0 C-N-CA 120.672 -0.775 . . . . 0.0 111.347 179.77 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . 0.544 ' OD1' ' N ' ' A' ' 134' ' ' GLY . 43.7 p-10 -96.41 -17.77 20.37 Favored 'General case' 0 N--CA 1.467 0.38 0 O-C-N 122.563 -0.375 . . . . 0.0 110.242 -179.891 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . 0.544 ' N ' ' OD1' ' A' ' 133' ' ' ASP . . . 97.66 -12.14 64.57 Favored Glycine 0 C--N 1.33 0.224 0 N-CA-C 110.382 -1.087 . . . . 0.0 110.382 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . 0.494 ' N ' ' OD1' ' A' ' 133' ' ' ASP . 5.2 mt-30 -115.91 131.16 57.02 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-O 120.735 0.302 . . . . 0.0 110.522 -178.674 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 36.6 t -81.69 119.21 30.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 N-CA-C 108.522 -0.918 . . . . 0.0 108.522 178.254 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 54.4 t30 -94.65 168.74 10.65 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-O 120.75 0.31 . . . . 0.0 110.169 179.368 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . 0.431 ' CE2' HG21 ' A' ' 142' ' ' VAL . 74.3 t80 -50.67 -46.87 58.79 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.717 -0.393 . . . . 0.0 110.996 -178.638 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 42.9 tp10 -58.81 -46.0 88.65 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.753 -0.379 . . . . 0.0 111.024 -179.474 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 66.6 mt-10 -66.13 -39.28 89.74 Favored 'General case' 0 N--CA 1.451 -0.417 0 C-N-CA 120.166 -0.614 . . . . 0.0 110.272 179.737 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 53.2 t80 -63.15 -49.8 72.89 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 178.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . 0.431 HG21 ' CE2' ' A' ' 138' ' ' TYR . 39.8 t -59.36 -46.88 92.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 N-CA-C 108.987 -0.745 . . . . 0.0 108.987 179.531 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -61.91 -49.19 77.18 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.737 179.61 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 14.2 tmm? -62.17 -39.72 93.58 Favored 'General case' 0 CA--C 1.512 -0.491 0 CA-C-O 121.544 0.687 . . . . 0.0 109.478 178.66 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 31.0 ttm -62.19 -38.76 90.32 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 115.124 -0.944 . . . . 0.0 109.871 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 56.6 mtm -64.53 -39.96 94.73 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 120.755 -0.378 . . . . 0.0 110.12 179.184 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 25.8 m . . . . . 0 C--N 1.328 -0.362 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.299 -179.86 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 82.3 tt0 . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 108.978 -0.749 . . . . 0.0 108.978 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -46.45 -44.02 17.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.217 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.535 HD23 ' OH ' ' A' ' 138' ' ' TYR . 51.2 tp -62.92 -44.72 95.31 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.291 -0.563 . . . . 0.0 110.199 179.837 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 89.2 tttt -60.9 -37.65 82.97 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.721 -0.392 . . . . 0.0 110.109 -179.48 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -66.99 -51.84 50.05 Favored 'General case' 0 N--CA 1.451 -0.419 0 C-N-CA 120.704 -0.398 . . . . 0.0 110.238 179.397 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -52.88 -46.28 67.85 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 120.475 -0.49 . . . . 0.0 109.899 -179.491 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 69.8 t80 -56.32 -44.81 80.31 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 109.921 -0.4 . . . . 0.0 109.921 179.662 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 16.5 mmmt -60.14 -34.28 73.32 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.819 179.512 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 84.7 t -68.91 -42.68 82.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.769 179.312 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.458 ' CZ ' HG11 ' A' ' 108' ' ' VAL . 5.0 m-85 -61.6 -35.43 77.84 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.58 -179.667 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.59 ' OD2' ' N ' ' A' ' 98' ' ' GLY . 6.9 t0 -72.08 72.29 0.87 Allowed 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.136 0.493 . . . . 0.0 110.848 -178.896 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 25.2 mtpp -50.95 -48.52 60.96 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 120.125 -0.63 . . . . 0.0 110.407 -179.354 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . 0.481 ' OD1' ' N ' ' A' ' 97' ' ' ASN . 7.7 p30 -79.37 -0.5 32.99 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.819 0.342 . . . . 0.0 110.512 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . 0.402 ' CD ' ' O ' ' A' ' 96' ' ' GLN . 0.4 OUTLIER 50.44 37.64 16.18 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.556 179.9 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . 0.481 ' N ' ' OD1' ' A' ' 95' ' ' ASP . 52.0 p-10 -85.06 -2.66 58.24 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.772 -0.371 . . . . 0.0 111.28 -179.208 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . 0.59 ' N ' ' OD2' ' A' ' 93' ' ' ASP . . . 90.53 -4.53 82.31 Favored Glycine 0 CA--C 1.53 1.028 0 N-CA-C 111.583 -0.607 . . . . 0.0 111.583 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 32.0 m-85 -128.67 172.26 11.4 Favored 'General case' 0 N--CA 1.467 0.419 0 N-CA-C 109.452 -0.574 . . . . 0.0 109.452 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 21.3 mt -120.43 130.37 74.51 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.48 0 N-CA-C 108.794 -0.817 . . . . 0.0 108.794 178.739 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 39.7 t -107.11 154.88 20.5 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.58 -179.586 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -52.22 -39.5 60.34 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 -179.688 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . 0.428 ' O ' ' HG2' ' A' ' 106' ' ' ARG . 38.9 t -60.88 -43.08 98.93 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-O 121.056 0.455 . . . . 0.0 110.137 179.627 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.508 ' O ' HG23 ' A' ' 108' ' ' VAL . 92.8 mt-10 -71.23 -41.72 69.82 Favored 'General case' 0 N--CA 1.442 -0.85 0 C-N-CA 120.507 -0.477 . . . . 0.0 110.625 179.379 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 46.4 tp -65.7 -45.32 83.2 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-O 120.77 0.319 . . . . 0.0 111.47 179.631 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . 0.489 ' CG ' ' N ' ' A' ' 107' ' ' HIS . 11.5 ptm180 -64.87 -46.88 79.96 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.224 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . 0.489 ' N ' ' CG ' ' A' ' 106' ' ' ARG . 13.4 t-80 -57.58 -43.25 84.46 Favored 'General case' 0 CA--C 1.517 -0.294 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 -179.565 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.508 HG23 ' O ' ' A' ' 104' ' ' GLU . 72.5 t -65.55 -43.11 94.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.979 178.838 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 3.3 mmt -60.62 -39.88 89.83 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.688 -0.405 . . . . 0.0 110.211 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 98.1 mt -65.29 -44.11 94.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 N-CA-C 109.888 -0.412 . . . . 0.0 109.888 179.101 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 13.9 t30 -60.34 -26.53 66.65 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.084 -0.507 . . . . 0.0 109.937 179.724 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.465 HD13 ' O ' ' A' ' 108' ' ' VAL . 8.0 mp -87.42 0.82 54.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.105 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 84.92 9.98 79.69 Favored Glycine 0 CA--C 1.524 0.597 0 N-CA-C 110.905 -0.878 . . . . 0.0 110.905 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -111.47 123.68 50.71 Favored 'General case' 0 N--CA 1.465 0.305 0 N-CA-C 109.856 -0.424 . . . . 0.0 109.856 179.62 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 16.3 ptmt -136.44 112.3 9.54 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 121.058 0.456 . . . . 0.0 110.37 -179.496 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 25.2 mt -101.04 157.57 16.66 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.449 -0.575 . . . . 0.0 109.449 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . 0.474 ' N ' ' OE1' ' A' ' 120' ' ' GLU . 11.6 m -64.15 162.8 13.74 Favored 'General case' 0 N--CA 1.453 -0.304 0 N-CA-C 109.117 -0.698 . . . . 0.0 109.117 -179.593 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . 0.423 ' N ' HG22 ' A' ' 117' ' ' THR . 97.8 m-20 -61.33 -39.31 90.07 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 120.701 -0.4 . . . . 0.0 110.153 -179.407 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -65.29 -31.56 72.76 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 120.764 -0.374 . . . . 0.0 110.487 179.671 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . 0.474 ' OE1' ' N ' ' A' ' 117' ' ' THR . 69.7 mt-10 -70.04 -47.2 62.99 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.644 -0.422 . . . . 0.0 110.305 178.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 69.0 t -64.32 -45.73 95.22 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 C-N-CA 120.665 -0.414 . . . . 0.0 109.994 179.557 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 34.7 tp10 -57.42 -37.7 73.2 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 22.8 mt-30 -71.26 -40.71 70.79 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.662 179.039 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 34.1 ttm -62.3 -46.46 88.66 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-O 120.776 0.322 . . . . 0.0 110.443 -179.699 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 7.5 mm -62.89 -48.16 89.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 179.743 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 29.2 mmtp -64.62 -43.32 94.13 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.969 179.656 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 80.8 tt0 -69.56 -37.07 76.87 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.74 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -78.11 -29.9 49.19 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.594 -179.343 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . 0.529 ' OD2' ' N ' ' A' ' 133' ' ' ASP . 67.1 t0 -77.42 119.93 21.71 Favored 'General case' 0 CA--C 1.51 -0.568 0 CA-C-O 121.255 0.55 . . . . 0.0 111.593 -179.423 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 7.1 tp -84.96 -21.07 29.71 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.42 -0.809 . . . . 0.0 111.309 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . 0.403 ' OD1' ' C ' ' A' ' 131' ' ' ASP . 19.6 p30 -110.62 12.19 22.72 Favored 'General case' 0 N--CA 1.47 0.565 0 N-CA-C 111.568 0.21 . . . . 0.0 111.568 -179.009 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 41.19 30.31 0.43 Allowed Glycine 0 CA--C 1.528 0.872 0 N-CA-C 111.191 -0.763 . . . . 0.0 111.191 179.73 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . 0.529 ' N ' ' OD2' ' A' ' 129' ' ' ASP . 43.0 p-10 -72.01 -18.67 61.95 Favored 'General case' 0 C--O 1.231 0.125 0 C-N-CA 120.792 -0.363 . . . . 0.0 110.413 -179.792 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 98.12 -7.66 62.5 Favored Glycine 0 C--N 1.332 0.332 0 N-CA-C 110.373 -1.091 . . . . 0.0 110.373 179.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -120.97 135.12 55.28 Favored 'General case' 0 N--CA 1.454 -0.269 0 N-CA-C 110.171 -0.307 . . . . 0.0 110.171 -178.37 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 99.2 t -84.27 118.51 31.66 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 N-CA-C 108.613 -0.884 . . . . 0.0 108.613 178.264 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 49.4 p-10 -93.86 170.94 9.18 Favored 'General case' 0 N--CA 1.467 0.384 0 N-CA-C 109.862 -0.422 . . . . 0.0 109.862 179.389 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . 0.535 ' OH ' HD23 ' A' ' 85' ' ' LEU . 60.7 t80 -54.26 -45.1 72.33 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.951 -0.3 . . . . 0.0 111.16 -178.529 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 41.0 tp10 -58.39 -45.06 89.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.836 0.351 . . . . 0.0 110.654 -179.415 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -72.39 -35.85 68.52 Favored 'General case' 0 N--CA 1.446 -0.641 0 C-N-CA 119.841 -0.743 . . . . 0.0 109.537 179.814 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 64.5 t80 -62.83 -55.0 30.27 Favored 'General case' 0 C--O 1.232 0.16 0 C-N-CA 120.494 -0.482 . . . . 0.0 110.371 179.73 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . 0.518 HG13 ' N ' ' A' ' 143' ' ' LYS . 11.6 p -59.37 -43.24 89.78 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.139 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 143' ' ' LYS . . . . . 0.518 ' N ' HG13 ' A' ' 142' ' ' VAL . 3.6 ttmp? -61.09 -49.85 75.64 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.857 -0.61 . . . . 0.0 109.96 179.393 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 56.8 ttp -60.62 -39.41 88.1 Favored 'General case' 0 CA--C 1.512 -0.512 0 CA-C-N 115.639 -0.709 . . . . 0.0 109.293 179.42 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 47.5 ttm -66.12 -39.99 90.36 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 114.831 -1.077 . . . . 0.0 110.118 179.158 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 11.6 mmt -61.29 -37.49 83.36 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 26.5 m . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.544 179.974 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 . . . . . 0 N--CA 1.455 -0.189 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 76.1 mm-40 -43.36 -38.11 2.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.68 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 37.8 mt -61.81 -43.85 98.03 Favored 'General case' 0 C--O 1.231 0.128 0 C-N-CA 120.424 -0.51 . . . . 0.0 110.232 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 48.0 mttp -61.8 -41.4 97.71 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.424 -0.51 . . . . 0.0 110.15 179.228 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 13.8 tm-20 -64.75 -53.87 40.25 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 120.491 -0.483 . . . . 0.0 110.139 179.721 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -55.09 -49.35 71.9 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.911 0.386 . . . . 0.0 109.968 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 33.3 t80 -58.0 -41.87 83.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.042 179.711 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.405 ' HG3' ' HZ2' ' A' ' 90' ' ' LYS . 63.1 tttp -60.62 -33.68 73.12 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.675 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 70.2 t -68.01 -47.11 80.25 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.24 0 C-N-CA 120.746 -0.381 . . . . 0.0 110.77 179.262 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -68.51 -34.67 76.29 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.39 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 35.8 t0 -71.78 60.41 0.36 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.5 -179.42 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 17.1 tptp -51.39 -46.47 62.86 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.527 -0.469 . . . . 0.0 110.048 -179.003 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . 0.443 ' OD2' ' OE2' ' A' ' 104' ' ' GLU . 5.5 m-20 -70.48 -7.78 46.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.891 0.377 . . . . 0.0 110.031 -179.605 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 3.8 tp-100 49.93 32.75 5.84 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.102 -179.823 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 49.4 p-10 -90.55 4.73 50.36 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 116.506 -0.315 . . . . 0.0 111.321 -179.191 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 82.77 -7.53 65.54 Favored Glycine 0 CA--C 1.528 0.855 0 N-CA-C 111.484 -0.646 . . . . 0.0 111.484 179.426 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 63.3 m-85 -128.94 134.04 48.07 Favored 'General case' 0 N--CA 1.468 0.454 0 N-CA-C 110.425 -0.213 . . . . 0.0 110.425 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 31.1 mt -84.33 129.85 36.94 Favored 'Isoleucine or valine' 0 C--O 1.237 0.43 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 178.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 4.0 m -97.92 157.07 16.31 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.56 -179.499 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -52.11 -41.54 62.54 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.692 -0.485 . . . . 0.0 109.692 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . 0.407 ' HA ' HH11 ' A' ' 106' ' ' ARG . 78.0 p -59.04 -41.77 88.66 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.695 -0.402 . . . . 0.0 110.271 179.81 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.443 ' OE2' ' OD2' ' A' ' 95' ' ' ASP . 87.9 mt-10 -68.5 -39.53 81.25 Favored 'General case' 0 N--CA 1.444 -0.729 0 C-N-CA 120.832 -0.347 . . . . 0.0 111.001 179.338 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.565 HD13 ' O ' ' A' ' 105' ' ' LEU . 0.2 OUTLIER -61.37 -42.56 98.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.028 0.442 . . . . 0.0 109.963 -179.448 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . 0.435 ' HG2' ' N ' ' A' ' 107' ' ' HIS . 9.3 ptt-85 -64.06 -44.64 91.81 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 120.387 -0.525 . . . . 0.0 109.694 179.357 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . 0.435 ' N ' ' HG2' ' A' ' 106' ' ' ARG . 29.6 t-80 -52.42 -40.9 62.73 Favored 'General case' 0 CA--C 1.514 -0.43 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 -178.865 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 85.0 t -66.14 -40.75 87.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.154 178.581 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 17.0 mmt -59.89 -45.33 92.88 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 120.574 -0.45 . . . . 0.0 110.633 -178.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.434 ' N ' HD12 ' A' ' 110' ' ' ILE . 1.4 mp -65.97 -43.02 92.87 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.318 0 N-CA-C 109.886 -0.413 . . . . 0.0 109.886 178.597 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . 0.433 ' OD1' ' O ' ' A' ' 111' ' ' ASN . 53.9 t-20 -61.62 -37.53 84.28 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.431 -179.532 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -78.07 -2.75 38.83 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.122 179.829 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 85.19 17.29 63.03 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 179.629 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -112.61 128.71 56.45 Favored 'General case' 0 N--CA 1.464 0.269 0 N-CA-C 109.916 -0.402 . . . . 0.0 109.916 179.389 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 32.0 mtpt -132.15 109.8 10.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.907 0.384 . . . . 0.0 110.413 -179.617 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 72.8 mt -118.58 165.4 13.99 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.703 179.553 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . 0.419 ' H ' HG22 ' A' ' 117' ' ' THR . 0.0 OUTLIER -73.73 164.83 26.13 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.618 -0.512 . . . . 0.0 109.618 179.595 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 55.2 t0 -62.41 -37.36 85.51 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.597 -0.441 . . . . 0.0 110.614 -179.585 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -56.26 -39.48 72.68 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.887 -0.325 . . . . 0.0 110.671 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 62.0 mm-40 -71.82 -48.98 42.54 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.64 -0.424 . . . . 0.0 110.244 178.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 76.5 t -64.2 -46.39 93.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 C-N-CA 120.647 -0.421 . . . . 0.0 110.051 179.759 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 43.4 tp10 -60.08 -37.59 80.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.072 -0.513 . . . . 0.0 109.956 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 60.0 tt0 -62.01 -45.56 93.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.217 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 74.8 mtm -65.21 -39.55 92.93 Favored 'General case' 0 N--CA 1.446 -0.659 0 C-N-CA 120.964 -0.294 . . . . 0.0 110.269 179.714 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 5.6 mm -62.9 -45.62 98.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -67.41 -41.98 83.99 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.434 -0.803 . . . . 0.0 111.109 178.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 12.6 tm-20 -70.05 -38.87 75.93 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.043 -179.85 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -70.39 -29.36 65.98 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.505 -0.77 . . . . 0.0 111.283 -178.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . 0.527 ' OD2' ' N ' ' A' ' 133' ' ' ASP . 23.2 t0 -78.64 116.49 19.04 Favored 'General case' 0 CA--C 1.51 -0.589 0 CA-C-O 121.429 0.633 . . . . 0.0 111.605 -178.852 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 6.1 tp -86.17 -24.59 26.09 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 114.975 -1.011 . . . . 0.0 111.586 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . 0.427 ' OD1' ' OD1' ' A' ' 129' ' ' ASP . 42.8 p30 -103.84 11.21 35.97 Favored 'General case' 0 N--CA 1.47 0.529 0 N-CA-C 111.601 0.223 . . . . 0.0 111.601 -179.116 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . 0.408 ' CA ' ' OD2' ' A' ' 129' ' ' ASP . . . 44.03 30.25 1.72 Allowed Glycine 0 CA--C 1.528 0.895 0 C-N-CA 120.803 -0.713 . . . . 0.0 111.332 179.429 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . 0.527 ' N ' ' OD2' ' A' ' 129' ' ' ASP . 15.2 p-10 -74.33 -17.58 60.82 Favored 'General case' 0 C--N 1.333 -0.119 0 CA-C-O 120.946 0.403 . . . . 0.0 110.748 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 97.16 -7.79 64.54 Favored Glycine 0 C--N 1.332 0.319 0 N-CA-C 110.213 -1.155 . . . . 0.0 110.213 179.692 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . 0.415 ' H ' ' CG ' ' A' ' 133' ' ' ASP . 1.2 mt-30 -122.86 139.31 54.16 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-O 120.843 0.354 . . . . 0.0 110.302 -178.383 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 88.6 t -81.85 121.36 35.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 N-CA-C 108.471 -0.937 . . . . 0.0 108.471 178.802 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 64.3 t30 -93.89 164.45 13.1 Favored 'General case' 0 N--CA 1.465 0.308 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 179.301 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 73.6 t80 -46.09 -51.27 14.15 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.486 -0.325 . . . . 0.0 111.061 -178.793 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 -59.78 -42.04 92.45 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.879 -0.328 . . . . 0.0 110.743 -179.689 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 75.3 mt-10 -66.14 -42.18 89.42 Favored 'General case' 0 N--CA 1.45 -0.458 0 C-N-CA 120.395 -0.522 . . . . 0.0 110.09 179.705 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 55.5 t80 -61.88 -50.13 73.45 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 178.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 55.5 t -59.37 -46.21 92.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.813 -0.631 . . . . 0.0 109.347 179.783 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 65.3 tttm -60.82 -48.4 81.97 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.755 -0.657 . . . . 0.0 109.815 179.696 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 47.9 ttp -62.86 -40.6 97.96 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.616 -0.72 . . . . 0.0 109.505 178.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 36.6 ttm -62.12 -39.19 91.7 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 114.607 -1.178 . . . . 0.0 109.798 179.635 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 57.1 mmm -64.79 -38.03 89.6 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.192 179.668 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 14.6 m . . . . . 0 C--N 1.33 -0.246 0 CA-C-O 120.967 0.413 . . . . 0.0 110.983 -179.84 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.531 ' OE1' ' N ' ' A' ' 83' ' ' GLU . 54.5 mp0 . . . . . 0 N--CA 1.455 -0.179 0 N-CA-C 109.241 -0.651 . . . . 0.0 109.241 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 75.8 mt-10 -46.18 -47.76 17.65 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 120.62 -0.432 . . . . 0.0 110.349 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.571 HD13 ' O ' ' A' ' 85' ' ' LEU . 0.2 OUTLIER -61.91 -45.31 94.29 Favored 'General case' 0 N--CA 1.452 -0.342 0 C-N-CA 120.09 -0.644 . . . . 0.0 110.369 -179.71 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 64.0 tttm -62.26 -41.01 98.07 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.46 -0.496 . . . . 0.0 110.313 179.765 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -67.39 -53.16 31.67 Favored 'General case' 0 N--CA 1.452 -0.367 0 C-N-CA 120.623 -0.431 . . . . 0.0 110.466 179.569 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -52.47 -45.63 66.19 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.411 -0.516 . . . . 0.0 110.208 -179.654 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 36.5 t80 -57.02 -44.57 83.0 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.024 179.429 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 64.9 mmtt -60.3 -32.61 71.38 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.745 -0.382 . . . . 0.0 110.896 179.357 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 98.9 t -70.18 -48.23 62.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 C-N-CA 120.528 -0.469 . . . . 0.0 110.74 179.439 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -63.47 -33.84 76.46 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.556 -0.458 . . . . 0.0 110.249 179.827 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.528 ' OD2' ' N ' ' A' ' 98' ' ' GLY . 21.3 t0 -70.22 66.22 0.28 Allowed 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 120.561 -0.456 . . . . 0.0 110.629 -179.446 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -48.84 -47.76 42.33 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.347 -0.541 . . . . 0.0 110.186 -179.229 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . 0.432 ' OD2' ' OE2' ' A' ' 104' ' ' GLU . 4.5 m-20 -73.82 -6.73 48.88 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 120.856 -0.337 . . . . 0.0 110.213 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 6.2 tt0 49.18 36.88 9.85 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.018 -179.489 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 53.6 p-10 -92.77 3.43 55.66 Favored 'General case' 0 N--CA 1.464 0.251 0 C-N-CA 120.739 -0.384 . . . . 0.0 111.345 -179.085 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . 0.528 ' N ' ' OD2' ' A' ' 93' ' ' ASP . . . 88.0 -9.63 73.85 Favored Glycine 0 CA--C 1.525 0.717 0 N-CA-C 111.395 -0.682 . . . . 0.0 111.395 179.57 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 60.7 m-85 -127.29 133.3 50.16 Favored 'General case' 0 N--CA 1.467 0.417 0 N-CA-C 110.273 -0.269 . . . . 0.0 110.273 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 38.7 mt -84.23 129.06 38.27 Favored 'Isoleucine or valine' 0 C--O 1.237 0.402 0 N-CA-C 108.936 -0.764 . . . . 0.0 108.936 179.062 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.5 m -96.04 154.1 17.42 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.592 -179.547 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -50.16 -40.66 47.34 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.346 -0.541 . . . . 0.0 110.22 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 78.1 p -64.73 -36.28 83.79 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.723 -0.391 . . . . 0.0 110.577 179.42 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.432 ' OE2' ' OD2' ' A' ' 95' ' ' ASP . 85.5 mt-10 -69.15 -42.03 76.51 Favored 'General case' 0 N--CA 1.444 -0.756 0 C-N-CA 120.563 -0.455 . . . . 0.0 109.996 179.029 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 27.8 tp -66.78 -40.77 88.31 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-O 121.128 0.49 . . . . 0.0 109.685 178.809 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 36.1 ttt85 -58.71 -49.97 75.62 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.258 -0.577 . . . . 0.0 109.766 179.349 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 11.7 t-160 -54.18 -41.09 68.16 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 -179.764 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 86.2 t -65.63 -42.78 93.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 C-N-CA 120.605 -0.438 . . . . 0.0 110.228 178.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 19.8 mmt -59.54 -44.08 93.31 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.647 -0.421 . . . . 0.0 110.331 -179.212 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.405 ' N ' HD12 ' A' ' 110' ' ' ILE . 1.7 mp -65.0 -42.68 95.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 C-N-CA 120.518 -0.473 . . . . 0.0 110.182 177.785 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 19.8 t-20 -59.17 -33.59 71.11 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 -179.354 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 8.7 mp -81.0 -2.48 48.1 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.17 179.426 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 83.92 17.76 64.73 Favored Glycine 0 CA--C 1.526 0.763 0 N-CA-C 111.024 -0.831 . . . . 0.0 111.024 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -121.27 135.64 55.09 Favored 'General case' 0 N--CA 1.467 0.41 0 N-CA-C 109.666 -0.494 . . . . 0.0 109.666 179.595 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 39.5 pttt -140.27 119.12 12.52 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-O 120.738 0.304 . . . . 0.0 110.392 -179.609 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.902 HD22 ' N ' ' A' ' 116' ' ' LEU . 0.9 OUTLIER -105.17 157.5 17.23 Favored 'General case' 0 N--CA 1.466 0.341 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 -179.967 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 19.9 p -63.99 164.51 10.37 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.064 -0.654 . . . . 0.0 109.347 -179.407 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 54.3 t0 -62.41 -40.35 96.23 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.378 -0.529 . . . . 0.0 110.564 -179.486 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -62.17 -33.72 75.05 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 120.687 -0.405 . . . . 0.0 110.667 -179.767 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 72.9 mm-40 -70.39 -45.29 66.28 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 120.512 -0.475 . . . . 0.0 110.514 179.14 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 74.8 t -63.26 -47.31 92.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 C-N-CA 120.46 -0.496 . . . . 0.0 110.15 179.68 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -57.29 -39.18 75.2 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 120.797 -0.361 . . . . 0.0 110.377 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 92.9 mt-30 -68.3 -39.13 82.16 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.732 -0.387 . . . . 0.0 110.768 179.216 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 90.1 mtp -62.64 -43.98 97.43 Favored 'General case' 0 N--CA 1.449 -0.497 0 C-N-CA 120.734 -0.386 . . . . 0.0 110.711 -179.447 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . 0.402 HG22 ' OD2' ' A' ' 129' ' ' ASP . 9.6 mm -62.91 -48.2 89.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 C-N-CA 120.596 -0.442 . . . . 0.0 110.025 179.437 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 9.2 mtmp? -63.29 -44.31 95.4 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.992 179.708 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 71.5 mm-40 -68.01 -38.16 82.28 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.982 179.576 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -76.27 -28.95 57.26 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.167 -179.428 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . 0.402 ' OD2' HG22 ' A' ' 125' ' ' ILE . 89.7 m-20 -75.16 114.73 14.0 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.211 0.529 . . . . 0.0 111.286 -179.276 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 57.7 tp -77.49 -29.07 52.4 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.716 -0.675 . . . . 0.0 111.28 179.712 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . 0.402 ' OD1' ' C ' ' A' ' 131' ' ' ASP . 41.2 p-10 -106.53 16.28 24.83 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 111.701 0.26 . . . . 0.0 111.701 -178.798 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 39.2 53.71 2.65 Favored Glycine 0 CA--C 1.53 0.985 0 C-N-CA 120.625 -0.798 . . . . 0.0 111.476 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . 0.511 ' OD1' ' N ' ' A' ' 135' ' ' GLN . 26.4 p30 -97.78 -15.84 20.12 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 117.009 0.405 . . . . 0.0 110.142 -179.691 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . 0.443 ' N ' ' OD1' ' A' ' 133' ' ' ASP . . . 97.29 -10.91 65.47 Favored Glycine 0 C--N 1.331 0.265 0 N-CA-C 110.319 -1.112 . . . . 0.0 110.319 179.66 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . 0.511 ' N ' ' OD1' ' A' ' 133' ' ' ASP . 4.6 mt-30 -118.22 134.98 54.54 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-O 120.578 0.228 . . . . 0.0 110.604 -178.736 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 89.0 t -80.05 121.84 34.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 N-CA-C 108.359 -0.978 . . . . 0.0 108.359 178.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 63.3 t30 -94.86 163.54 13.3 Favored 'General case' 0 N--CA 1.469 0.516 0 N-CA-C 110.1 -0.333 . . . . 0.0 110.1 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . 0.425 ' CZ ' HD12 ' A' ' 85' ' ' LEU . 43.5 t80 -45.72 -52.39 11.05 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.59 -0.444 . . . . 0.0 111.004 -178.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 38.5 tp10 -58.04 -42.55 85.61 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.76 -0.376 . . . . 0.0 111.092 -179.31 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 55.6 mt-10 -66.13 -41.75 90.04 Favored 'General case' 0 C--N 1.324 -0.512 0 C-N-CA 120.196 -0.602 . . . . 0.0 110.317 179.793 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 61.4 t80 -61.87 -50.82 70.7 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 179.198 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 53.6 t -59.47 -45.34 93.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 N-CA-C 109.138 -0.689 . . . . 0.0 109.138 179.698 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 63.9 tttp -60.89 -49.71 76.36 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.943 179.617 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 59.7 ttp -60.73 -39.24 87.88 Favored 'General case' 0 CA--C 1.515 -0.383 0 CA-C-O 121.431 0.634 . . . . 0.0 109.354 179.176 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . 0.402 ' SD ' HD21 ' A' ' 85' ' ' LEU . 42.1 ttm -66.03 -38.77 89.25 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 115.136 -0.938 . . . . 0.0 110.098 179.736 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 78.5 mmm -62.15 -39.82 93.9 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.861 -0.422 . . . . 0.0 109.861 179.436 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 71.2 m . . . . . 0 C--N 1.33 -0.248 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.38 -179.756 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 . . . . . 0 N--CA 1.455 -0.212 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -43.95 -37.29 2.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.602 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.517 HD23 ' OH ' ' A' ' 138' ' ' TYR . 51.0 tp -60.59 -43.97 96.77 Favored 'General case' 0 C--N 1.331 -0.202 0 C-N-CA 120.284 -0.566 . . . . 0.0 110.114 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 60.0 mmtt -62.18 -39.14 91.71 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 120.471 -0.492 . . . . 0.0 110.406 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.432 ' O ' ' HG3' ' A' ' 90' ' ' LYS . 38.5 tp10 -70.59 -48.84 53.24 Favored 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 120.476 -0.49 . . . . 0.0 109.988 179.504 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -55.79 -47.88 76.31 Favored 'General case' 0 C--N 1.319 -0.751 0 C-N-CA 120.261 -0.576 . . . . 0.0 110.367 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 54.6 t80 -57.06 -45.09 83.49 Favored 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 120.782 -0.367 . . . . 0.0 110.55 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.444 ' HG3' ' N ' ' A' ' 91' ' ' VAL . 0.0 OUTLIER -60.01 -29.53 68.55 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.232 0.539 . . . . 0.0 111.174 -179.909 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.444 ' N ' ' HG3' ' A' ' 90' ' ' LYS . 54.0 t -70.48 -46.71 69.3 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.207 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.262 -179.093 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -62.96 -30.9 71.93 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.251 179.297 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.548 ' OD2' ' N ' ' A' ' 98' ' ' GLY . 18.0 t0 -72.46 66.83 0.71 Allowed 'General case' 0 C--N 1.322 -0.623 0 C-N-CA 120.668 -0.413 . . . . 0.0 110.784 -179.39 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 75.7 tttt -51.78 -47.58 64.12 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.322 -0.551 . . . . 0.0 109.999 -179.417 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . 0.439 ' OD2' ' OE2' ' A' ' 104' ' ' GLU . 4.6 m-20 -72.94 -6.22 43.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.96 0.41 . . . . 0.0 110.054 -179.629 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 47.9 tt0 49.9 33.05 6.06 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.082 -0.508 . . . . 0.0 109.841 -179.613 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 48.9 p-10 -90.5 3.93 52.57 Favored 'General case' 0 C--N 1.329 -0.314 0 O-C-N 122.07 -0.394 . . . . 0.0 111.09 -179.147 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . 0.548 ' N ' ' OD2' ' A' ' 93' ' ' ASP . . . 83.35 -0.38 89.7 Favored Glycine 0 CA--C 1.527 0.84 0 N-CA-C 111.414 -0.674 . . . . 0.0 111.414 179.591 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 48.3 m-85 -133.11 138.14 46.57 Favored 'General case' 0 N--CA 1.469 0.475 0 N-CA-C 110.306 -0.257 . . . . 0.0 110.306 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 15.8 mt -90.61 126.63 43.38 Favored 'Isoleucine or valine' 0 C--O 1.239 0.522 0 N-CA-C 108.943 -0.762 . . . . 0.0 108.943 178.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 24.8 p -98.59 159.65 14.81 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.783 -179.447 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -53.76 -41.96 67.71 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.392 -0.523 . . . . 0.0 109.768 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . 0.508 ' O ' ' ND1' ' A' ' 107' ' ' HIS . 77.2 p -58.58 -40.69 83.84 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-O 121.078 0.465 . . . . 0.0 110.327 179.8 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.476 ' O ' HG23 ' A' ' 108' ' ' VAL . 95.5 mt-10 -73.12 -39.93 65.34 Favored 'General case' 0 N--CA 1.444 -0.735 0 C-N-CA 120.572 -0.451 . . . . 0.0 110.738 178.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 39.2 tp -62.46 -44.34 96.64 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-O 120.863 0.364 . . . . 0.0 111.295 -179.72 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . 0.45 ' HG2' ' O ' ' A' ' 103' ' ' SER . 19.1 ptp180 -64.96 -43.59 92.17 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.504 -0.479 . . . . 0.0 110.108 179.596 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . 0.508 ' ND1' ' O ' ' A' ' 103' ' ' SER . 37.5 m170 -57.64 -44.52 85.67 Favored 'General case' 0 N--CA 1.452 -0.33 0 C-N-CA 120.49 -0.484 . . . . 0.0 109.815 -179.697 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.476 HG23 ' O ' ' A' ' 104' ' ' GLU . 96.5 t -65.9 -42.78 92.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.272 179.327 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 3.6 mmt -62.62 -43.22 99.36 Favored 'General case' 0 C--N 1.332 -0.186 0 C-N-CA 120.543 -0.463 . . . . 0.0 110.361 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 94.2 mt -63.07 -44.65 99.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 C-N-CA 120.479 -0.489 . . . . 0.0 109.726 179.578 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 28.8 t30 -60.86 -28.61 68.98 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.728 -0.471 . . . . 0.0 109.728 179.564 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.431 HD22 ' HA ' ' A' ' 112' ' ' LEU . 0.2 OUTLIER -82.42 -1.81 51.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.066 -179.858 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 87.94 13.15 64.95 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -116.02 127.58 55.02 Favored 'General case' 0 N--CA 1.467 0.42 0 N-CA-C 109.866 -0.42 . . . . 0.0 109.866 179.401 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 19.6 pttm -136.67 114.79 11.54 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-O 121.014 0.435 . . . . 0.0 110.53 -179.773 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 60.6 mt -109.01 163.92 12.88 Favored 'General case' 0 N--CA 1.466 0.351 0 N-CA-C 109.553 -0.536 . . . . 0.0 109.553 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 72.3 p -71.3 167.74 18.85 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . 0.534 ' OD1' ' N ' ' A' ' 119' ' ' GLU . 40.3 p-10 -64.41 -42.62 95.99 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.424 -0.51 . . . . 0.0 110.905 -179.76 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . 0.534 ' N ' ' OD1' ' A' ' 118' ' ' ASP . 96.8 mt-10 -58.22 -33.26 69.12 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.813 0.34 . . . . 0.0 110.747 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -73.9 -46.77 42.44 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 120.515 -0.474 . . . . 0.0 110.312 178.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 69.5 t -65.63 -43.99 93.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.076 179.475 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -63.21 -39.51 94.83 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.714 -0.394 . . . . 0.0 110.388 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 78.4 mm-40 -69.23 -41.22 77.31 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.682 -0.407 . . . . 0.0 110.503 179.238 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 45.7 ttp -65.03 -42.29 94.47 Favored 'General case' 0 N--CA 1.45 -0.458 0 C-N-CA 120.97 -0.292 . . . . 0.0 110.316 179.538 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 4.7 mm -64.27 -47.44 89.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 121.311 0.577 . . . . 0.0 109.781 179.64 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 54.7 mtpt -64.57 -39.88 94.54 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.811 179.384 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 75.9 tt0 -73.88 -35.83 64.75 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.818 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -75.44 -29.05 59.57 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.321 -179.343 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . 0.506 ' OD2' ' N ' ' A' ' 133' ' ' ASP . 28.7 t0 -70.87 110.8 5.83 Favored 'General case' 0 CA--C 1.509 -0.607 0 CA-C-O 121.215 0.531 . . . . 0.0 111.893 -179.16 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.467 ' H ' ' HG2' ' A' ' 140' ' ' GLU . 51.6 tp -88.45 -26.44 22.1 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.409 -0.814 . . . . 0.0 111.35 179.365 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 44.1 m-20 -79.94 -10.61 59.79 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 120.921 -0.311 . . . . 0.0 111.553 -178.499 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 70.99 22.02 78.38 Favored Glycine 0 CA--C 1.527 0.789 0 C-N-CA 120.551 -0.833 . . . . 0.0 111.213 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . 0.506 ' N ' ' OD2' ' A' ' 129' ' ' ASP . 37.6 p-10 -95.02 -12.41 26.67 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-O 120.91 0.386 . . . . 0.0 110.39 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 85.34 11.27 75.76 Favored Glycine 0 C--N 1.331 0.287 0 N-CA-C 110.531 -1.028 . . . . 0.0 110.531 179.773 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 9.1 mt-30 -121.71 146.6 46.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.896 0.379 . . . . 0.0 110.382 -178.597 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 6.4 t -87.67 117.32 31.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 N-CA-C 108.158 -1.052 . . . . 0.0 108.158 178.431 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 58.2 t30 -103.41 169.75 8.35 Favored 'General case' 0 N--CA 1.468 0.44 0 N-CA-C 109.965 -0.383 . . . . 0.0 109.965 179.325 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . 0.517 ' OH ' HD23 ' A' ' 85' ' ' LEU . 69.2 t80 -45.65 -52.12 11.25 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 120.936 -0.306 . . . . 0.0 110.967 -178.753 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 83.1 tt0 -60.48 -45.07 95.08 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 120.841 -0.343 . . . . 0.0 111.21 -179.454 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . 0.467 ' HG2' ' H ' ' A' ' 130' ' ' LEU . 57.8 mt-10 -67.0 -43.36 83.14 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 120.181 -0.608 . . . . 0.0 110.493 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . 0.481 ' O ' ' N ' ' A' ' 145' ' ' MET . 55.9 t80 -60.64 -49.54 77.09 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.176 -0.676 . . . . 0.0 109.176 179.357 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 35.3 t -60.09 -46.52 94.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 179.322 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 26.4 tptp -62.97 -48.59 78.2 Favored 'General case' 0 N--CA 1.444 -0.731 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.376 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 144' ' ' MET . . . . . 0.446 ' SD ' ' C ' ' A' ' 144' ' ' MET . 9.0 tmm? -66.72 -43.09 85.19 Favored 'General case' 0 CA--C 1.51 -0.558 0 CA-C-O 121.615 0.722 . . . . 0.0 110.03 178.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . 0.481 ' N ' ' O ' ' A' ' 141' ' ' PHE . 11.4 tmm? -61.53 -37.84 85.24 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 114.739 -1.119 . . . . 0.0 109.916 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 15.2 mmt -71.05 -40.94 71.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.278 178.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 5.7 m . . . . . 0 C--N 1.331 -0.206 0 CA-C-O 121.017 0.437 . . . . 0.0 110.804 -179.383 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 . . . . . 0 N--CA 1.457 -0.117 0 N-CA-C 109.045 -0.724 . . . . 0.0 109.045 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -44.55 -36.33 2.95 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.571 -0.452 . . . . 0.0 110.509 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 31.6 mt -62.97 -44.69 95.35 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.343 -0.543 . . . . 0.0 110.589 179.563 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 24.3 mtpp -62.6 -41.16 98.81 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.38 -0.528 . . . . 0.0 110.357 179.18 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 83.3 tt0 -72.3 -49.9 31.11 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.607 -0.437 . . . . 0.0 110.112 179.501 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -53.86 -46.46 71.29 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 120.285 -0.566 . . . . 0.0 110.075 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 69.9 t80 -60.32 -43.21 96.6 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.035 179.153 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 65.0 tttm -61.27 -32.12 71.94 Favored 'General case' 0 C--N 1.332 -0.193 0 C-N-CA 120.885 -0.326 . . . . 0.0 110.493 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 84.6 t -78.25 -31.96 16.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 C-N-CA 120.638 -0.425 . . . . 0.0 110.505 179.339 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -65.91 -35.55 80.92 Favored 'General case' 0 C--N 1.331 -0.199 0 C-N-CA 120.391 -0.524 . . . . 0.0 110.445 179.712 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.539 ' OD2' ' N ' ' A' ' 98' ' ' GLY . 10.7 t0 -76.14 75.68 2.98 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 120.307 -0.557 . . . . 0.0 111.05 -179.116 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 53.7 mtpt -51.8 -46.5 64.26 Favored 'General case' 0 C--N 1.333 -0.142 0 C-N-CA 120.331 -0.548 . . . . 0.0 110.01 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . 0.421 ' OD2' ' OE2' ' A' ' 104' ' ' GLU . 5.0 m-20 -71.4 -4.88 28.77 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.943 0.401 . . . . 0.0 109.93 179.81 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . 0.43 ' N ' ' OD1' ' A' ' 93' ' ' ASP . 35.4 tt0 50.84 29.1 4.09 Favored 'General case' 0 C--N 1.324 -0.512 0 C-N-CA 120.541 -0.464 . . . . 0.0 110.081 -179.798 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 51.4 p-10 -84.58 0.01 51.57 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 122.037 -0.414 . . . . 0.0 111.031 -179.36 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . 0.539 ' N ' ' OD2' ' A' ' 93' ' ' ASP . . . 86.86 -9.36 72.22 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.421 ' N ' ' OD2' ' A' ' 93' ' ' ASP . 33.0 m-85 -127.2 133.67 50.23 Favored 'General case' 0 N--CA 1.469 0.52 0 N-CA-C 110.185 -0.302 . . . . 0.0 110.185 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.436 ' O ' ' NE2' ' A' ' 135' ' ' GLN . 20.7 mt -82.96 128.43 38.73 Favored 'Isoleucine or valine' 0 C--O 1.233 0.19 0 N-CA-C 109.035 -0.728 . . . . 0.0 109.035 179.102 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . 0.422 ' CA ' HE22 ' A' ' 135' ' ' GLN . 6.9 p -95.85 153.06 17.94 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.637 -179.513 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -49.68 -39.67 37.33 Favored 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 120.333 -0.547 . . . . 0.0 109.901 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 67.7 m -61.54 -39.02 89.57 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-O 120.876 0.37 . . . . 0.0 110.613 179.084 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.421 ' OE2' ' OD2' ' A' ' 95' ' ' ASP . 90.7 mt-10 -70.62 -42.08 71.39 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 120.583 -0.447 . . . . 0.0 110.396 179.509 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.772 ' C ' HD13 ' A' ' 105' ' ' LEU . 2.8 tm? -64.62 -44.02 91.87 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-O 121.443 0.639 . . . . 0.0 110.097 178.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . 0.516 ' HE ' HD11 ' A' ' 110' ' ' ILE . 9.4 tpt180 -61.61 -46.83 88.15 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 120.236 -0.585 . . . . 0.0 109.973 179.693 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 11.8 t-160 -53.93 -39.79 66.17 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 120.486 -0.486 . . . . 0.0 109.829 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.41 HG23 ' O ' ' A' ' 104' ' ' GLU . 74.7 t -61.63 -42.88 95.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 C-N-CA 120.732 -0.387 . . . . 0.0 110.093 179.057 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . 0.564 ' SD ' ' N ' ' A' ' 109' ' ' MET . 0.0 OUTLIER -58.95 -41.25 86.99 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.565 -0.454 . . . . 0.0 110.361 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.516 HD11 ' HE ' ' A' ' 106' ' ' ARG . 12.8 mm -64.18 -44.56 97.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 179.083 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 7.1 t-20 -59.25 -33.45 71.04 Favored 'General case' 0 C--N 1.331 -0.209 0 C-N-CA 120.712 -0.395 . . . . 0.0 109.943 179.725 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 8.6 mp -80.98 -4.36 54.79 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.868 179.328 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 82.66 20.54 61.52 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -113.04 129.42 56.51 Favored 'General case' 0 N--CA 1.467 0.392 0 N-CA-C 109.643 -0.503 . . . . 0.0 109.643 179.635 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 16.2 pttm -129.73 108.63 10.33 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-O 120.79 0.328 . . . . 0.0 110.239 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 5.0 mp -110.88 160.0 17.18 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 179.719 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 6.6 p -69.15 161.62 28.75 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.066 -0.653 . . . . 0.0 109.602 -179.838 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -62.06 -39.03 91.0 Favored 'General case' 0 C--N 1.331 -0.205 0 C-N-CA 120.421 -0.512 . . . . 0.0 110.669 179.79 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 77.3 mt-10 -56.34 -38.48 71.42 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.654 -0.418 . . . . 0.0 110.516 179.781 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -70.47 -46.55 63.56 Favored 'General case' 0 N--CA 1.448 -0.533 0 C-N-CA 120.465 -0.494 . . . . 0.0 110.111 179.294 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 70.2 t -63.28 -48.75 85.99 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 C-N-CA 120.321 -0.552 . . . . 0.0 110.186 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -56.0 -37.36 69.02 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.625 -0.43 . . . . 0.0 110.274 179.66 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 65.7 tp60 -67.54 -41.03 84.95 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 120.492 -0.483 . . . . 0.0 110.4 179.114 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 39.1 ttp -64.54 -44.53 90.52 Favored 'General case' 0 N--CA 1.449 -0.497 0 C-N-CA 120.794 -0.363 . . . . 0.0 110.424 -179.829 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . 0.431 HG22 ' OD2' ' A' ' 129' ' ' ASP . 7.9 mm -62.42 -48.59 87.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 121.064 0.459 . . . . 0.0 109.825 179.173 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 27.1 mmtp -63.75 -43.18 97.21 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.761 179.458 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 76.0 tt0 -68.81 -36.18 77.91 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.804 179.778 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -78.45 -29.08 46.72 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.033 -179.362 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . 0.431 ' OD2' HG22 ' A' ' 125' ' ' ILE . 82.6 m-20 -79.91 124.16 28.42 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 120.368 -0.533 . . . . 0.0 111.466 -179.132 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 2.3 pp -85.69 -17.27 36.47 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.247 179.559 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 38.7 p30 -113.97 14.35 18.42 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.988 -0.285 . . . . 0.0 111.53 -179.341 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 41.47 32.65 0.8 Allowed Glycine 0 CA--C 1.53 1.015 0 C-N-CA 120.317 -0.944 . . . . 0.0 111.219 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . 0.555 ' OD1' ' N ' ' A' ' 134' ' ' GLY . 48.5 p30 -75.42 -19.85 59.24 Favored 'General case' 0 N--CA 1.462 0.167 0 C-N-CA 120.49 -0.484 . . . . 0.0 110.391 179.816 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . 0.555 ' N ' ' OD1' ' A' ' 133' ' ' ASP . . . 96.66 -6.83 65.23 Favored Glycine 0 C--N 1.331 0.259 0 N-CA-C 110.336 -1.106 . . . . 0.0 110.336 179.538 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . 0.436 ' NE2' ' O ' ' A' ' 100' ' ' ILE . 21.2 mm100 -117.38 131.37 56.79 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-O 120.544 0.212 . . . . 0.0 110.475 -178.854 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 86.4 t -80.82 118.56 28.79 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.241 0 N-CA-C 108.37 -0.974 . . . . 0.0 108.37 178.706 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 65.4 t30 -94.32 170.01 9.81 Favored 'General case' 0 N--CA 1.47 0.53 0 N-CA-C 110.042 -0.355 . . . . 0.0 110.042 179.83 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . 0.437 ' CE2' HG21 ' A' ' 142' ' ' VAL . 83.7 t80 -51.8 -49.29 63.05 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.576 -0.45 . . . . 0.0 111.01 -178.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 39.8 tp10 -56.98 -45.01 83.23 Favored 'General case' 0 CA--C 1.519 -0.218 0 O-C-N 122.054 -0.404 . . . . 0.0 111.115 -179.488 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -67.83 -38.81 83.7 Favored 'General case' 0 C--N 1.316 -0.891 0 C-N-CA 120.159 -0.617 . . . . 0.0 110.04 179.263 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . 0.429 ' O ' ' N ' ' A' ' 145' ' ' MET . 70.0 t80 -62.25 -50.77 70.4 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 108.776 -0.824 . . . . 0.0 108.776 179.071 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . 0.437 HG21 ' CE2' ' A' ' 138' ' ' TYR . 55.5 t -59.5 -47.52 90.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 179.422 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 3.2 tppp? -61.86 -48.62 79.69 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.725 179.034 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 55.5 ttp -63.17 -40.37 97.35 Favored 'General case' 0 CA--C 1.513 -0.464 0 CA-C-O 121.53 0.681 . . . . 0.0 109.326 178.599 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . 0.429 ' N ' ' O ' ' A' ' 141' ' ' PHE . 28.1 tpp -63.95 -39.86 95.1 Favored 'General case' 0 N--CA 1.444 -0.761 0 CA-C-N 115.36 -0.836 . . . . 0.0 109.679 -179.395 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 86.5 mtp -62.15 -38.78 90.29 Favored 'General case' 0 N--CA 1.451 -0.402 0 N-CA-C 110.044 -0.354 . . . . 0.0 110.044 179.323 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 73.1 m . . . . . 0 C--N 1.331 -0.223 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.682 -179.774 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 83.2 tt0 . . . . . 0 N--CA 1.454 -0.233 0 N-CA-C 108.922 -0.77 . . . . 0.0 108.922 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -43.79 -35.13 1.78 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.477 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.538 HD13 ' SD ' ' A' ' 145' ' ' MET . 56.5 tp -61.9 -44.67 96.33 Favored 'General case' 0 C--N 1.332 -0.194 0 C-N-CA 120.383 -0.527 . . . . 0.0 110.26 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 53.3 mtpt -62.49 -40.53 96.99 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 120.416 -0.514 . . . . 0.0 110.349 179.753 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 81.6 tt0 -67.68 -50.81 55.83 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.606 -0.437 . . . . 0.0 109.943 179.441 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -52.72 -45.39 66.93 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 179.769 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 62.8 t80 -55.5 -45.32 77.08 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.787 -0.449 . . . . 0.0 109.787 179.539 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 28.4 mmtp -60.11 -32.8 71.33 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.769 179.701 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 97.3 t -68.55 -48.07 73.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 C-N-CA 120.483 -0.487 . . . . 0.0 110.716 179.489 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -63.29 -33.2 75.0 Favored 'General case' 0 N--CA 1.465 0.296 0 C-N-CA 120.787 -0.365 . . . . 0.0 110.167 179.65 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 39.3 t0 -71.77 64.38 0.47 Allowed 'General case' 0 C--N 1.324 -0.541 0 C-N-CA 120.681 -0.408 . . . . 0.0 110.677 -179.403 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 58.4 tttm -52.08 -48.31 64.76 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 120.383 -0.527 . . . . 0.0 109.947 -179.217 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . 0.414 ' OD2' ' OE2' ' A' ' 104' ' ' GLU . 7.5 m-20 -67.37 -7.94 28.76 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.045 0.45 . . . . 0.0 109.891 -179.833 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 99.0 mt-30 49.8 36.95 12.16 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.232 -179.597 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . 0.408 ' OD1' ' O ' ' A' ' 99' ' ' TYR . 35.9 p-10 -96.39 7.0 47.57 Favored 'General case' 0 N--CA 1.465 0.298 0 C-N-CA 121.073 -0.251 . . . . 0.0 111.317 -179.402 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 82.0 -9.0 58.68 Favored Glycine 0 CA--C 1.527 0.8 0 N-CA-C 111.356 -0.698 . . . . 0.0 111.356 179.427 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.408 ' O ' ' OD1' ' A' ' 97' ' ' ASN . 30.2 m-85 -128.39 135.26 49.3 Favored 'General case' 0 N--CA 1.469 0.485 0 N-CA-C 110.161 -0.311 . . . . 0.0 110.161 -179.83 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 31.9 mt -82.91 129.07 38.07 Favored 'Isoleucine or valine' 0 C--O 1.235 0.33 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 179.047 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 17.0 t -95.34 160.37 14.56 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.615 -179.246 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -56.87 -43.85 81.64 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 120.329 -0.548 . . . . 0.0 109.855 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 67.4 m -56.71 -39.02 73.14 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-O 120.931 0.395 . . . . 0.0 110.408 179.75 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.414 ' OE2' ' OD2' ' A' ' 95' ' ' ASP . 95.5 mt-10 -71.82 -35.72 70.0 Favored 'General case' 0 N--CA 1.444 -0.762 0 C-N-CA 120.753 -0.379 . . . . 0.0 110.564 179.48 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.574 HD13 ' O ' ' A' ' 105' ' ' LEU . 0.2 OUTLIER -60.37 -43.95 96.06 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-O 121.123 0.487 . . . . 0.0 110.124 -179.09 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . 0.402 ' HG3' ' N ' ' A' ' 107' ' ' HIS . 8.9 ptm180 -71.0 -38.94 72.67 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 120.441 -0.504 . . . . 0.0 110.108 179.461 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . 0.402 ' N ' ' HG3' ' A' ' 106' ' ' ARG . 58.5 t-80 -58.02 -42.46 85.31 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 179.799 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.409 ' O ' HD13 ' A' ' 112' ' ' LEU . 78.5 t -65.05 -43.19 95.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.241 -0.436 . . . . 0.0 109.99 178.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 20.9 mmt -60.77 -40.98 94.55 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.59 -0.444 . . . . 0.0 110.068 -179.665 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 97.6 mt -65.07 -44.3 95.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 C-N-CA 120.648 -0.421 . . . . 0.0 109.952 179.112 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 25.0 t30 -60.43 -31.41 70.38 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.226 -0.443 . . . . 0.0 109.994 179.705 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.409 HD13 ' O ' ' A' ' 108' ' ' VAL . 8.1 mp -82.8 -1.86 52.93 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.008 179.479 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 84.49 20.39 58.59 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 75.1 mt-10 -115.72 130.35 56.82 Favored 'General case' 0 N--CA 1.466 0.338 0 N-CA-C 109.666 -0.494 . . . . 0.0 109.666 179.677 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 4.9 ptpp? -126.91 108.56 11.09 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-O 120.914 0.388 . . . . 0.0 110.071 179.778 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 55.5 mt -108.4 153.81 22.75 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 109.607 -0.516 . . . . 0.0 109.607 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 72.3 p -70.45 164.54 24.45 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -62.39 -37.96 87.76 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.348 -0.541 . . . . 0.0 110.507 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -57.66 -36.92 72.54 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 120.635 -0.426 . . . . 0.0 110.545 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 -71.94 -48.06 47.95 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.477 -0.489 . . . . 0.0 110.164 179.054 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 81.6 t -62.25 -48.3 89.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 C-N-CA 120.652 -0.419 . . . . 0.0 109.929 179.61 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 83.9 tt0 -58.02 -37.08 73.66 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.68 -0.408 . . . . 0.0 110.097 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 65.7 tt0 -68.96 -40.6 78.79 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 120.622 -0.431 . . . . 0.0 110.553 179.258 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 44.0 ttm -63.39 -43.96 96.06 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-O 120.743 0.306 . . . . 0.0 110.485 -179.677 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . 0.477 HG22 ' OD2' ' A' ' 129' ' ' ASP . 7.2 mm -62.72 -48.21 89.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 121.203 0.525 . . . . 0.0 109.772 179.493 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 42.6 mmtm -65.48 -44.32 87.49 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.972 179.601 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 36.4 tp10 -68.94 -36.25 77.73 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.725 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -78.9 -30.28 44.8 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.188 -179.187 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . 0.477 ' OD2' HG22 ' A' ' 125' ' ' ILE . 86.3 m-20 -76.28 119.49 20.25 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.206 0.527 . . . . 0.0 111.395 -179.208 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 6.7 tt -79.08 -24.72 43.31 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.239 179.839 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . 0.411 ' O ' ' C ' ' A' ' 132' ' ' GLY . 45.3 p-10 -113.82 15.42 18.64 Favored 'General case' 0 N--CA 1.469 0.486 0 N-CA-C 111.576 0.213 . . . . 0.0 111.576 -178.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . 0.411 ' C ' ' O ' ' A' ' 131' ' ' ASP . . . 39.3 39.28 1.04 Allowed Glycine 0 CA--C 1.53 0.989 0 N-CA-C 111.189 -0.764 . . . . 0.0 111.189 179.698 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . 0.483 ' OD1' ' N ' ' A' ' 135' ' ' GLN . 19.8 p30 -78.3 -17.49 56.53 Favored 'General case' 0 N--CA 1.461 0.121 0 O-C-N 122.504 -0.409 . . . . 0.0 110.399 -179.87 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . 0.444 ' N ' ' OD1' ' A' ' 133' ' ' ASP . . . 97.92 -10.24 64.05 Favored Glycine 0 C--N 1.331 0.254 0 N-CA-C 110.196 -1.162 . . . . 0.0 110.196 179.583 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . 0.483 ' N ' ' OD1' ' A' ' 133' ' ' ASP . 8.8 mt-30 -118.48 131.7 56.25 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-O 120.668 0.271 . . . . 0.0 110.313 -178.797 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 52.9 t -81.19 121.48 34.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 N-CA-C 108.485 -0.932 . . . . 0.0 108.485 178.65 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 65.4 t30 -98.42 166.36 11.4 Favored 'General case' 0 N--CA 1.469 0.489 0 N-CA-C 110.124 -0.324 . . . . 0.0 110.124 179.463 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 85.5 t80 -51.24 -44.16 61.65 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.788 -0.365 . . . . 0.0 111.096 -178.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -58.24 -45.76 87.17 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.041 0.448 . . . . 0.0 110.896 -179.317 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -69.29 -38.52 78.34 Favored 'General case' 0 C--N 1.317 -0.805 0 C-N-CA 120.062 -0.655 . . . . 0.0 110.035 179.623 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 36.9 t80 -63.37 -56.5 15.8 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.287 -0.565 . . . . 0.0 110.081 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . 0.526 HG13 ' N ' ' A' ' 143' ' ' LYS . 7.8 p -58.18 -43.82 86.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 -179.333 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 143' ' ' LYS . . . . . 0.526 ' N ' HG13 ' A' ' 142' ' ' VAL . 64.9 tttp -62.9 -50.0 72.57 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.048 179.123 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 51.9 ttp -61.84 -39.52 92.12 Favored 'General case' 0 CA--C 1.512 -0.516 0 CA-C-O 121.632 0.729 . . . . 0.0 109.323 178.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . 0.538 ' SD ' HD13 ' A' ' 85' ' ' LEU . 34.3 ttm -61.57 -39.88 92.74 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.006 -0.997 . . . . 0.0 109.706 179.771 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 84.8 mmm -64.32 -40.46 95.94 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.8 -0.36 . . . . 0.0 110.043 179.439 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 25.4 m . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.418 179.832 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 13.9 tm-20 . . . . . 0 N--CA 1.455 -0.196 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -46.03 -46.21 16.49 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.588 -0.445 . . . . 0.0 110.43 -179.804 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 76.4 mt -62.41 -44.85 95.45 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.267 -0.573 . . . . 0.0 110.323 179.559 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 64.5 tttp -63.0 -41.87 99.7 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 120.452 -0.499 . . . . 0.0 110.268 179.255 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 47.0 tp10 -68.39 -52.37 33.72 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 120.67 -0.412 . . . . 0.0 109.992 179.715 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -52.28 -45.37 65.45 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.389 -0.524 . . . . 0.0 109.877 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 54.4 t80 -57.81 -45.01 86.71 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.575 -0.45 . . . . 0.0 110.052 179.068 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -64.85 -34.21 77.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.74 0.305 . . . . 0.0 110.795 179.603 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 59.9 t -80.74 -33.36 13.41 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 C-N-CA 120.642 -0.423 . . . . 0.0 110.679 179.603 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -60.47 -34.11 73.55 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 120.215 -0.594 . . . . 0.0 110.51 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.554 ' OD2' ' N ' ' A' ' 97' ' ' ASN . 37.1 t0 -69.52 87.3 0.47 Allowed 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 120.261 -0.575 . . . . 0.0 111.053 -178.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 84.0 tttt -55.88 -52.89 62.48 Favored 'General case' 0 C--N 1.332 -0.157 0 C-N-CA 120.105 -0.638 . . . . 0.0 110.435 -179.2 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . 0.429 ' OD1' ' OD1' ' A' ' 93' ' ' ASP . 50.8 p30 -75.74 0.64 17.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.002 0.43 . . . . 0.0 110.336 -179.665 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 47.5 tp60 48.28 35.47 5.61 Favored 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 120.512 -0.475 . . . . 0.0 110.225 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . 0.554 ' N ' ' OD2' ' A' ' 93' ' ' ASP . 43.6 p-10 -79.0 -13.48 59.76 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 120.649 -0.42 . . . . 0.0 110.99 -179.399 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 97.46 0.23 59.55 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 111.236 -0.746 . . . . 0.0 111.236 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 25.4 m-85 -135.33 142.61 45.82 Favored 'General case' 0 C--O 1.222 -0.35 0 CA-C-N 116.847 0.324 . . . . 0.0 110.305 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 4.1 mm -82.34 115.15 24.37 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.159 0 N-CA-C 108.758 -0.83 . . . . 0.0 108.758 178.69 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 25.6 m -89.19 155.14 19.6 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.591 -179.34 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -58.56 -45.52 88.8 Favored 'General case' 0 C--N 1.332 -0.178 0 C-N-CA 120.294 -0.562 . . . . 0.0 110.305 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 52.2 m -59.96 -42.74 94.74 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 120.709 -0.396 . . . . 0.0 110.593 179.503 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -65.16 -35.98 82.78 Favored 'General case' 0 N--CA 1.447 -0.61 0 C-N-CA 120.47 -0.492 . . . . 0.0 110.179 179.468 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 32.7 tp -67.17 -41.92 85.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.267 0.556 . . . . 0.0 110.427 178.809 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 83.5 mtp180 -61.53 -48.76 79.54 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 120.206 -0.598 . . . . 0.0 109.959 -179.723 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 53.9 t-80 -54.59 -43.08 71.82 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.582 -0.447 . . . . 0.0 109.817 179.622 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 69.7 t -64.89 -41.85 93.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 C-N-CA 120.615 -0.434 . . . . 0.0 110.127 178.528 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 40.7 mtt -58.67 -42.47 88.57 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.462 -0.495 . . . . 0.0 110.403 -179.469 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.404 ' N ' HD12 ' A' ' 110' ' ' ILE . 1.9 mp -66.97 -43.16 89.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-O 121.02 0.438 . . . . 0.0 109.967 178.412 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . 0.436 ' OD1' ' O ' ' A' ' 111' ' ' ASN . 31.6 t-20 -60.91 -33.09 72.6 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.252 -179.864 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -81.51 -0.33 41.42 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.127 179.367 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 84.71 10.94 78.28 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -106.94 121.9 45.36 Favored 'General case' 0 N--CA 1.465 0.301 0 N-CA-C 109.724 -0.473 . . . . 0.0 109.724 179.644 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 14.9 pttp -126.6 103.93 7.84 Favored 'General case' 0 N--CA 1.465 0.296 0 N-CA-C 110.019 -0.363 . . . . 0.0 110.019 -179.575 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 2.0 mp -108.38 156.72 19.1 Favored 'General case' 0 N--CA 1.466 0.329 0 N-CA-C 109.611 -0.514 . . . . 0.0 109.611 179.727 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 30.9 p -66.24 160.48 24.25 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 119.954 -0.698 . . . . 0.0 109.596 -179.436 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 90.9 m-20 -60.01 -34.94 74.03 Favored 'General case' 0 C--N 1.332 -0.17 0 C-N-CA 120.429 -0.508 . . . . 0.0 110.425 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -64.77 -34.89 79.42 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.721 -0.392 . . . . 0.0 110.352 179.328 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 60.0 mt-10 -69.78 -48.73 58.13 Favored 'General case' 0 N--CA 1.448 -0.56 0 C-N-CA 120.469 -0.492 . . . . 0.0 110.193 179.104 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 92.4 t -65.56 -47.11 87.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 C-N-CA 120.51 -0.476 . . . . 0.0 110.262 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 93.8 mt-10 -59.89 -40.87 90.19 Favored 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 120.476 -0.489 . . . . 0.0 110.444 179.834 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 78.1 mm-40 -67.47 -40.01 85.31 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 120.565 -0.454 . . . . 0.0 110.688 179.296 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 32.8 tpp -65.23 -42.84 93.02 Favored 'General case' 0 N--CA 1.448 -0.555 0 C-N-CA 120.72 -0.392 . . . . 0.0 110.299 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . 0.458 HG23 HG23 ' A' ' 136' ' ' VAL . 67.4 mt -64.2 -44.73 97.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-O 121.217 0.532 . . . . 0.0 110.017 179.039 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 36.2 mmtm -62.01 -41.97 98.65 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.406 179.506 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 81.9 tt0 -70.33 -36.01 73.98 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.946 0.403 . . . . 0.0 110.777 179.293 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -75.46 -30.72 60.05 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.981 -179.353 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . 0.4 ' OD1' ' OE1' ' A' ' 140' ' ' GLU . 4.8 m-20 -73.41 114.92 12.17 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.325 -0.55 . . . . 0.0 111.5 -178.567 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 10.7 tp -84.8 -26.17 27.68 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.218 179.62 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . 0.412 ' O ' ' C ' ' A' ' 132' ' ' GLY . 20.6 p30 -100.75 10.79 40.71 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.939 -0.304 . . . . 0.0 111.422 -179.084 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . 0.412 ' C ' ' O ' ' A' ' 131' ' ' ASP . . . 40.17 51.19 3.57 Favored Glycine 0 CA--C 1.528 0.891 0 C-N-CA 120.252 -0.975 . . . . 0.0 111.383 -179.894 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . 0.503 ' OD1' ' N ' ' A' ' 134' ' ' GLY . 41.9 p-10 -97.1 -15.91 20.75 Favored 'General case' 0 C--O 1.23 0.077 0 O-C-N 122.236 -0.567 . . . . 0.0 110.356 179.688 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . 0.503 ' N ' ' OD1' ' A' ' 133' ' ' ASP . . . 94.05 -11.0 71.41 Favored Glycine 0 C--N 1.33 0.225 0 N-CA-C 110.031 -1.228 . . . . 0.0 110.031 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . 0.444 ' H ' ' CG ' ' A' ' 133' ' ' ASP . 8.6 mt-30 -112.55 134.05 54.29 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-O 120.578 0.227 . . . . 0.0 110.509 -179.027 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . 0.458 HG23 HG23 ' A' ' 125' ' ' ILE . 48.5 t -81.01 110.11 16.13 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.255 0 N-CA-C 108.366 -0.976 . . . . 0.0 108.366 178.507 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 47.7 p30 -90.12 169.49 11.12 Favored 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 120.814 -0.354 . . . . 0.0 110.325 -179.655 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 79.1 t80 -56.61 -45.83 81.25 Favored 'General case' 0 CA--C 1.531 0.25 0 C-N-CA 120.606 -0.437 . . . . 0.0 111.055 -178.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 35.9 tp10 -56.87 -44.89 82.67 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-O 120.841 0.353 . . . . 0.0 111.056 -179.448 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . 0.4 ' OE1' ' OD1' ' A' ' 129' ' ' ASP . 29.6 mt-10 -72.82 -34.41 66.82 Favored 'General case' 0 C--N 1.313 -0.986 0 C-N-CA 120.251 -0.58 . . . . 0.0 109.899 178.9 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 71.5 t80 -64.21 -55.49 21.29 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 120.025 -0.67 . . . . 0.0 109.449 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . 0.535 HG13 ' N ' ' A' ' 143' ' ' LYS . 10.5 p -59.43 -43.88 91.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.062 -179.593 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 143' ' ' LYS . . . . . 0.535 ' N ' HG13 ' A' ' 142' ' ' VAL . 64.9 tttm -60.17 -50.77 72.35 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.533 -0.758 . . . . 0.0 109.729 179.187 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 16.3 tmm? -61.39 -37.05 82.02 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.515 0.674 . . . . 0.0 109.364 178.55 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 60.8 tpp -67.74 -40.38 84.16 Favored 'General case' 0 N--CA 1.443 -0.822 0 CA-C-N 115.33 -0.85 . . . . 0.0 109.854 -179.574 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 1.6 ttp -61.39 -34.08 74.74 Favored 'General case' 0 N--CA 1.452 -0.373 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 179.607 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 11.7 m . . . . . 0 C--N 1.332 -0.189 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.6 -179.491 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 83.1 tt0 . . . . . 0 C--O 1.232 0.154 0 N-CA-C 108.573 -0.899 . . . . 0.0 108.573 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 45.1 tt0 -46.07 -45.87 16.47 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.76 -0.376 . . . . 0.0 110.169 179.724 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.689 ' O ' HD23 ' A' ' 85' ' ' LEU . 4.2 tt -60.49 -45.95 91.88 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.11 -0.636 . . . . 0.0 110.382 -179.651 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 50.5 mtpt -59.74 -39.11 83.63 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 120.359 -0.536 . . . . 0.0 110.348 179.526 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 80.4 tt0 -68.3 -50.4 53.79 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.507 -0.477 . . . . 0.0 110.116 179.467 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -55.18 -49.93 70.64 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.472 -0.491 . . . . 0.0 109.848 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.532 ' CD2' HD11 ' A' ' 100' ' ' ILE . 37.7 t80 -56.27 -44.07 79.41 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.895 -0.409 . . . . 0.0 109.895 179.264 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 63.8 tttp -59.75 -33.16 71.31 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.678 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 77.1 t -69.58 -44.77 79.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 C-N-CA 120.618 -0.433 . . . . 0.0 110.843 179.601 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -64.82 -34.62 78.8 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.485 -0.486 . . . . 0.0 110.539 -179.645 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.517 ' OD2' ' N ' ' A' ' 98' ' ' GLY . 28.2 t0 -71.53 63.64 0.41 Allowed 'General case' 0 C--N 1.323 -0.567 0 C-N-CA 120.471 -0.492 . . . . 0.0 110.651 -179.25 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 57.6 tttp -47.29 -47.23 25.35 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 120.448 -0.501 . . . . 0.0 110.464 -179.201 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . 0.452 ' OD2' ' ND2' ' A' ' 97' ' ' ASN . 48.5 p-10 -74.91 -3.64 33.29 Favored 'General case' 0 C--N 1.325 -0.472 0 C-N-CA 120.837 -0.345 . . . . 0.0 110.451 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . 0.421 ' N ' ' O ' ' A' ' 93' ' ' ASP . 85.9 mt-30 48.73 38.29 11.37 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.157 -179.604 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . 0.452 ' ND2' ' OD2' ' A' ' 95' ' ' ASP . 53.0 p-10 -90.29 7.27 39.23 Favored 'General case' 0 N--CA 1.464 0.253 0 C-N-CA 120.741 -0.383 . . . . 0.0 111.312 -179.272 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . 0.517 ' N ' ' OD2' ' A' ' 93' ' ' ASP . . . 81.1 -6.12 64.24 Favored Glycine 0 CA--C 1.526 0.726 0 N-CA-C 111.373 -0.691 . . . . 0.0 111.373 179.755 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 41.2 m-85 -125.42 169.84 11.97 Favored 'General case' 0 N--CA 1.469 0.488 0 N-CA-C 109.798 -0.445 . . . . 0.0 109.798 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.532 HD11 ' CD2' ' A' ' 89' ' ' PHE . 78.4 mt -120.8 130.35 74.69 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.43 0 N-CA-C 109.029 -0.73 . . . . 0.0 109.029 178.673 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 86.5 p -104.92 155.23 19.13 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.551 -179.474 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -51.92 -39.16 58.67 Favored 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 120.392 -0.523 . . . . 0.0 109.896 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 80.6 p -60.63 -43.03 97.99 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 120.729 -0.388 . . . . 0.0 110.435 179.497 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -69.21 -40.35 78.03 Favored 'General case' 0 N--CA 1.443 -0.823 0 O-C-N 121.881 -0.512 . . . . 0.0 110.479 179.419 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 36.1 tp -65.0 -43.09 93.67 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 120.822 -0.351 . . . . 0.0 110.8 179.725 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . 0.477 ' CG ' ' N ' ' A' ' 107' ' ' HIS . 12.2 ptt180 -61.05 -46.38 90.91 Favored 'General case' 0 C--N 1.323 -0.586 0 C-N-CA 120.168 -0.613 . . . . 0.0 109.956 -179.736 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . 0.477 ' N ' ' CG ' ' A' ' 106' ' ' ARG . 18.9 t-80 -57.96 -43.02 86.21 Favored 'General case' 0 N--CA 1.452 -0.364 0 N-CA-C 108.902 -0.777 . . . . 0.0 108.902 -178.628 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 69.5 t -64.44 -43.93 97.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.095 178.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 15.6 mmt -60.5 -41.97 95.41 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.558 -0.457 . . . . 0.0 110.244 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 96.9 mt -63.88 -44.1 97.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 N-CA-C 109.751 -0.463 . . . . 0.0 109.751 179.122 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 6.5 t-20 -63.19 -32.82 74.31 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.96 -0.385 . . . . 0.0 109.96 179.496 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 52.6 mt -76.17 -2.65 32.17 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.099 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 84.54 11.53 77.37 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.897 -0.881 . . . . 0.0 110.897 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -108.68 125.06 51.48 Favored 'General case' 0 N--CA 1.466 0.37 0 N-CA-C 109.866 -0.42 . . . . 0.0 109.866 179.817 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.519 ' H ' ' HD2' ' A' ' 115' ' ' LYS . 0.0 OUTLIER -125.69 102.94 7.56 Favored 'General case' 0 N--CA 1.468 0.464 0 N-CA-C 110.041 -0.355 . . . . 0.0 110.041 -179.141 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 4.2 mp -105.33 154.49 20.21 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.938 -0.393 . . . . 0.0 109.938 179.708 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 66.1 p -66.41 162.45 20.43 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.145 -0.622 . . . . 0.0 109.532 -179.759 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -62.0 -38.77 89.87 Favored 'General case' 0 C--O 1.233 0.197 0 C-N-CA 120.303 -0.559 . . . . 0.0 110.561 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -56.84 -34.95 68.29 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.63 -0.428 . . . . 0.0 110.576 179.813 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -73.51 -48.68 31.37 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 120.467 -0.493 . . . . 0.0 110.1 179.115 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 79.0 t -64.67 -44.22 96.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 C-N-CA 120.578 -0.449 . . . . 0.0 110.182 179.405 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 46.3 tp10 -63.88 -37.97 89.35 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.651 -0.419 . . . . 0.0 110.098 179.826 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 59.1 tt0 -71.31 -41.93 69.28 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.722 -0.391 . . . . 0.0 110.446 179.472 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 43.4 ttp -64.16 -42.33 96.78 Favored 'General case' 0 N--CA 1.45 -0.467 0 C-N-CA 120.846 -0.342 . . . . 0.0 110.272 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 4.8 mm -63.78 -45.55 96.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 121.24 0.543 . . . . 0.0 109.821 179.309 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 67.1 mmtt -66.27 -41.47 89.82 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.89 179.154 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 37.6 tp10 -72.91 -35.31 67.04 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.124 179.782 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -71.68 -32.15 67.55 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.264 -179.296 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . 0.552 ' OD2' ' N ' ' A' ' 133' ' ' ASP . 20.9 t70 -74.74 119.91 19.56 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.019 0.438 . . . . 0.0 111.621 -178.619 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 45.0 tp -86.6 -24.11 25.5 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.833 -0.622 . . . . 0.0 111.605 179.653 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . 0.459 ' OD1' ' OD1' ' A' ' 129' ' ' ASP . 41.5 p-10 -103.42 10.05 37.49 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 121.002 -0.279 . . . . 0.0 111.464 -178.861 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . 0.476 ' CA ' ' OD2' ' A' ' 129' ' ' ASP . . . 44.49 29.22 1.74 Allowed Glycine 0 CA--C 1.531 1.092 0 C-N-CA 120.269 -0.967 . . . . 0.0 111.249 179.758 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . 0.552 ' N ' ' OD2' ' A' ' 129' ' ' ASP . 17.1 p-10 -73.65 -17.77 61.11 Favored 'General case' 0 C--O 1.231 0.131 0 CA-C-N 117.054 0.427 . . . . 0.0 110.428 179.586 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 98.43 -7.48 61.75 Favored Glycine 0 C--N 1.33 0.195 0 N-CA-C 110.26 -1.136 . . . . 0.0 110.26 179.833 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . 0.404 ' H ' ' CG ' ' A' ' 133' ' ' ASP . 3.4 mt-30 -124.6 141.53 52.03 Favored 'General case' 0 N--CA 1.452 -0.375 0 CA-C-O 120.541 0.21 . . . . 0.0 110.555 -178.75 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 22.7 t -80.65 121.56 34.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 N-CA-C 108.524 -0.917 . . . . 0.0 108.524 178.664 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 64.1 t30 -96.35 166.68 11.6 Favored 'General case' 0 N--CA 1.47 0.536 0 N-CA-C 110.187 -0.301 . . . . 0.0 110.187 179.376 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 43.6 t80 -46.82 -52.25 14.65 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 120.598 -0.441 . . . . 0.0 111.019 -178.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 83.6 tt0 -58.71 -44.4 90.35 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.656 -0.418 . . . . 0.0 111.299 -179.337 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 71.6 mt-10 -63.5 -41.01 98.54 Favored 'General case' 0 C--N 1.32 -0.68 0 C-N-CA 120.26 -0.576 . . . . 0.0 110.274 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . 0.476 ' O ' ' N ' ' A' ' 145' ' ' MET . 56.6 t80 -63.89 -48.95 74.61 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 178.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 56.8 t -58.87 -47.38 89.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 N-CA-C 109.127 -0.694 . . . . 0.0 109.127 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 62.6 tttm -63.82 -48.31 77.35 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.94 -0.573 . . . . 0.0 109.844 179.414 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 47.7 ttp -63.1 -43.28 98.91 Favored 'General case' 0 CA--C 1.515 -0.383 0 CA-C-O 121.463 0.649 . . . . 0.0 109.527 178.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . 0.476 ' N ' ' O ' ' A' ' 141' ' ' PHE . 8.1 tmm? -62.62 -37.93 88.25 Favored 'General case' 0 C--N 1.314 -0.936 0 CA-C-N 115.112 -0.949 . . . . 0.0 110.125 -179.581 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 40.4 mtt -65.99 -40.6 91.34 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.159 179.273 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 26.0 m . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.501 -179.518 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 . . . . . 0 N--CA 1.455 -0.18 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 40.5 tp10 -47.3 -43.0 22.14 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 120.699 -0.4 . . . . 0.0 110.222 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 7.0 tt -62.94 -44.03 97.18 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.399 -0.52 . . . . 0.0 110.476 179.518 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -61.28 -35.82 78.36 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 120.55 -0.46 . . . . 0.0 109.898 179.701 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 82.4 tt0 -67.68 -50.57 57.02 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 109.724 -0.473 . . . . 0.0 109.724 179.438 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -52.76 -45.99 67.31 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 54.7 t80 -55.88 -43.09 76.86 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.664 -0.495 . . . . 0.0 109.664 179.419 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -62.62 -32.39 73.41 Favored 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 120.75 -0.38 . . . . 0.0 110.534 179.509 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 70.4 t -69.51 -48.52 65.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 C-N-CA 120.515 -0.474 . . . . 0.0 110.786 179.44 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -64.54 -32.29 73.87 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.498 -0.481 . . . . 0.0 110.129 179.771 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 63.6 t0 -76.18 57.78 1.16 Allowed 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 120.557 -0.457 . . . . 0.0 110.706 -179.391 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -52.21 -44.91 65.02 Favored 'General case' 0 C--O 1.234 0.255 0 C-N-CA 120.305 -0.558 . . . . 0.0 110.043 -179.584 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . 0.453 ' OD2' ' OE2' ' A' ' 104' ' ' GLU . 5.4 m-20 -65.94 -9.12 26.9 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.827 -0.435 . . . . 0.0 109.827 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 99.0 mm-40 53.31 20.14 1.81 Allowed 'General case' 0 C--N 1.324 -0.5 0 C-N-CA 120.493 -0.483 . . . . 0.0 110.292 -179.749 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 46.5 p-10 -77.55 -0.87 27.94 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 120.8 -0.36 . . . . 0.0 111.221 -179.185 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 83.79 -0.62 89.45 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 111.391 -0.683 . . . . 0.0 111.391 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.497 ' CE2' ' OD1' ' A' ' 137' ' ' ASN . 50.3 m-85 -135.03 139.6 44.94 Favored 'General case' 0 N--CA 1.465 0.296 0 O-C-N 122.695 -0.297 . . . . 0.0 110.331 -179.767 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.407 HD13 HG21 ' A' ' 100' ' ' ILE . 14.2 mt -88.22 131.3 36.12 Favored 'Isoleucine or valine' 0 C--O 1.238 0.493 0 N-CA-C 108.686 -0.857 . . . . 0.0 108.686 178.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 44.2 t -103.06 159.49 15.47 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.795 -179.172 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -52.16 -41.35 62.51 Favored 'General case' 0 C--O 1.234 0.255 0 C-N-CA 120.297 -0.561 . . . . 0.0 109.988 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 92.8 p -57.01 -39.86 75.55 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 120.76 -0.376 . . . . 0.0 110.363 179.753 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.453 ' OE2' ' OD2' ' A' ' 95' ' ' ASP . 92.1 mt-10 -73.17 -38.56 66.14 Favored 'General case' 0 N--CA 1.441 -0.875 0 C-N-CA 120.48 -0.488 . . . . 0.0 110.256 179.123 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.564 HD13 ' O ' ' A' ' 105' ' ' LEU . 0.2 OUTLIER -61.0 -45.8 93.36 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.487 -0.485 . . . . 0.0 110.756 -179.42 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . 0.437 ' HG3' ' N ' ' A' ' 107' ' ' HIS . 41.1 ptt180 -69.15 -42.48 75.88 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 120.348 -0.541 . . . . 0.0 110.401 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . 0.437 ' N ' ' HG3' ' A' ' 106' ' ' ARG . 9.3 t-80 -56.86 -40.95 77.09 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 -179.707 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.417 HG23 ' O ' ' A' ' 104' ' ' GLU . 65.2 t -65.17 -43.03 95.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 C-N-CA 120.733 -0.387 . . . . 0.0 110.119 178.797 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 17.2 mmt -59.76 -40.8 89.39 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.61 -0.436 . . . . 0.0 110.125 -179.757 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 97.6 mt -65.47 -44.02 94.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 C-N-CA 120.366 -0.533 . . . . 0.0 109.988 178.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 16.4 t30 -58.96 -30.55 68.0 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.922 -0.399 . . . . 0.0 109.922 179.701 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.413 HD13 ' O ' ' A' ' 108' ' ' VAL . 8.6 mp -82.64 0.28 43.83 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.851 179.392 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 81.89 18.1 68.5 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 -179.846 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -119.82 136.95 54.27 Favored 'General case' 0 N--CA 1.466 0.366 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 179.814 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.417 ' C ' HD22 ' A' ' 116' ' ' LEU . 16.3 pttp -123.8 106.9 10.86 Favored 'General case' 0 N--CA 1.469 0.478 0 N-CA-C 110.086 -0.339 . . . . 0.0 110.086 -179.796 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.656 HD22 ' N ' ' A' ' 116' ' ' LEU . 3.4 mm? -90.59 153.19 20.52 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.85 -0.426 . . . . 0.0 109.85 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 17.0 p -70.68 158.28 36.51 Favored 'General case' 0 C--N 1.331 -0.197 0 C-N-CA 119.981 -0.688 . . . . 0.0 109.48 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -63.35 -41.41 98.85 Favored 'General case' 0 C--N 1.332 -0.188 0 C-N-CA 120.379 -0.528 . . . . 0.0 110.575 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -68.06 -29.97 69.06 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.796 -0.362 . . . . 0.0 110.609 179.669 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 33.8 tp10 -73.81 -48.14 33.52 Favored 'General case' 0 N--CA 1.449 -0.523 0 C-N-CA 120.607 -0.437 . . . . 0.0 110.147 179.384 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 71.1 t -62.42 -47.37 93.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 N-CA-C 109.619 -0.511 . . . . 0.0 109.619 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 75.7 mm-40 -58.95 -35.82 73.78 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.563 -0.455 . . . . 0.0 109.971 179.261 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -62.15 -48.05 81.81 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.46 -0.496 . . . . 0.0 110.419 179.451 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . 0.44 ' O ' ' N ' ' A' ' 128' ' ' ALA . 58.4 mtm -65.11 -39.8 93.62 Favored 'General case' 0 N--CA 1.449 -0.483 0 C-N-CA 120.803 -0.359 . . . . 0.0 110.245 179.313 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 4.3 mm -63.02 -46.22 96.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 C-N-CA 120.375 -0.53 . . . . 0.0 109.64 179.266 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -69.42 -39.17 78.04 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.893 178.78 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 34.6 tp10 -73.93 -35.99 64.64 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.993 -0.548 . . . . 0.0 111.243 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 0.44 ' N ' ' O ' ' A' ' 124' ' ' MET . . . -75.46 -28.16 59.17 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.283 -179.049 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . 0.436 ' OD1' ' OD1' ' A' ' 133' ' ' ASP . 38.4 t0 -72.57 111.89 8.14 Favored 'General case' 0 C--N 1.322 -0.619 0 C-N-CA 120.462 -0.495 . . . . 0.0 111.98 -178.867 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.554 ' H ' ' CD ' ' A' ' 140' ' ' GLU . 8.7 tp -88.43 -23.66 23.24 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.196 179.418 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 31.9 m-20 -89.44 2.26 54.74 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.882 -0.327 . . . . 0.0 111.276 -178.724 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 58.21 5.03 2.08 Favored Glycine 0 CA--C 1.529 0.966 0 C-N-CA 120.28 -0.962 . . . . 0.0 111.111 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . 0.436 ' OD1' ' OD1' ' A' ' 129' ' ' ASP . 35.0 p-10 -67.89 -16.9 64.3 Favored 'General case' 0 N--CA 1.461 0.121 0 CA-C-N 117.215 0.508 . . . . 0.0 110.39 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 87.98 7.19 74.48 Favored Glycine 0 C--N 1.33 0.198 0 N-CA-C 110.169 -1.172 . . . . 0.0 110.169 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -121.67 143.74 49.17 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 110.423 -0.214 . . . . 0.0 110.423 -179.079 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 14.6 t -83.56 115.41 25.82 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.305 0 N-CA-C 108.619 -0.882 . . . . 0.0 108.619 178.717 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . 0.497 ' OD1' ' CE2' ' A' ' 99' ' ' TYR . 62.0 t30 -96.65 167.34 11.18 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 120.884 -0.326 . . . . 0.0 110.266 179.78 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 77.7 t80 -48.07 -52.33 20.7 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 120.791 -0.363 . . . . 0.0 110.62 -178.754 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 80.0 tt0 -58.94 -44.16 91.32 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.642 -0.423 . . . . 0.0 111.175 -179.376 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . 0.554 ' CD ' ' H ' ' A' ' 130' ' ' LEU . 75.7 mt-10 -65.7 -41.02 92.84 Favored 'General case' 0 C--N 1.32 -0.714 0 C-N-CA 120.134 -0.626 . . . . 0.0 110.389 179.814 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 58.4 t80 -63.67 -50.71 68.19 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.224 -0.591 . . . . 0.0 109.528 179.303 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 53.6 t -59.38 -45.44 93.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 115.927 -0.579 . . . . 0.0 109.445 179.681 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 26.2 tptp -61.23 -49.92 75.16 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.878 179.429 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 16.2 tmm? -62.34 -39.38 92.93 Favored 'General case' 0 CA--C 1.512 -0.493 0 CA-C-O 121.41 0.624 . . . . 0.0 109.462 178.606 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 33.6 ttm -67.44 -40.43 85.46 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.256 -0.883 . . . . 0.0 109.944 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 2.9 mmt -62.09 -36.26 81.16 Favored 'General case' 0 N--CA 1.45 -0.444 0 N-CA-C 109.964 -0.384 . . . . 0.0 109.964 179.438 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 96.5 m . . . . . 0 C--N 1.327 -0.41 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.357 -179.459 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 81.3 tt0 . . . . . 0 C--O 1.235 0.335 0 N-CA-C 108.15 -1.055 . . . . 0.0 108.15 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -45.24 -33.47 2.37 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.677 -0.409 . . . . 0.0 110.261 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.661 ' O ' HD23 ' A' ' 85' ' ' LEU . 2.4 tt -61.19 -45.05 96.19 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 120.243 -0.583 . . . . 0.0 110.304 -179.834 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 58.5 mttp -63.08 -40.12 96.73 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 120.37 -0.532 . . . . 0.0 110.361 179.016 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 82.5 tt0 -68.76 -51.95 35.74 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.592 -0.443 . . . . 0.0 109.956 179.679 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -53.16 -45.1 68.31 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 120.508 -0.477 . . . . 0.0 109.735 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 70.3 t80 -58.2 -43.11 87.43 Favored 'General case' 0 N--CA 1.453 -0.28 0 C-N-CA 120.87 -0.332 . . . . 0.0 110.114 179.117 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -64.23 -32.56 74.2 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.897 -0.321 . . . . 0.0 110.655 179.468 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 97.2 t -81.93 -25.88 9.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 C-N-CA 120.678 -0.409 . . . . 0.0 110.678 179.544 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -64.64 -33.67 76.48 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.491 -0.484 . . . . 0.0 110.511 179.615 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.549 ' OD2' ' N ' ' A' ' 98' ' ' GLY . 21.6 t0 -82.59 75.26 9.5 Favored 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 120.382 -0.527 . . . . 0.0 110.902 -178.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 64.6 tttp -47.27 -42.91 21.62 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.433 -0.507 . . . . 0.0 109.857 -179.71 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -71.89 -7.47 48.69 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.894 -0.322 . . . . 0.0 110.23 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . 0.533 ' N ' ' O ' ' A' ' 93' ' ' ASP . 14.8 mm100 54.72 32.84 18.21 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.248 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 9.3 m120 -86.28 4.38 39.2 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.614 -0.435 . . . . 0.0 111.032 -179.564 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . 0.549 ' N ' ' OD2' ' A' ' 93' ' ' ASP . . . 76.3 -8.17 26.79 Favored Glycine 0 CA--C 1.528 0.845 0 N-CA-C 110.917 -0.873 . . . . 0.0 110.917 -179.558 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 28.0 m-85 -127.15 135.66 51.02 Favored 'General case' 0 N--CA 1.469 0.505 0 O-C-N 122.582 -0.363 . . . . 0.0 110.102 179.675 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 4.3 mt -83.09 122.99 38.23 Favored 'Isoleucine or valine' 0 C--O 1.238 0.467 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 179.161 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 38.5 t -100.29 165.48 11.45 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.67 -179.275 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -54.38 -44.96 72.7 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.299 -0.561 . . . . 0.0 109.937 179.657 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 72.7 m -57.38 -39.87 76.98 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.808 -0.357 . . . . 0.0 110.45 179.568 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.421 ' OE2' ' OD1' ' A' ' 93' ' ' ASP . 77.3 mt-10 -74.13 -39.18 63.49 Favored 'General case' 0 N--CA 1.44 -0.93 0 O-C-N 121.899 -0.501 . . . . 0.0 110.165 179.436 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.557 HD13 ' O ' ' A' ' 105' ' ' LEU . 0.2 OUTLIER -59.84 -46.82 88.07 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 120.534 -0.466 . . . . 0.0 110.295 -179.591 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . 0.4 ' HG3' ' N ' ' A' ' 107' ' ' HIS . 16.9 ptm180 -69.99 -41.3 74.57 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 120.304 -0.558 . . . . 0.0 110.289 179.656 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . 0.4 ' N ' ' HG3' ' A' ' 106' ' ' ARG . 11.7 t-80 -57.0 -45.18 83.18 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 -179.757 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 73.9 t -64.62 -42.48 95.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 C-N-CA 120.635 -0.426 . . . . 0.0 110.263 178.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 7.4 mmt -61.69 -42.4 98.87 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 120.579 -0.448 . . . . 0.0 110.08 -179.645 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 96.7 mt -64.84 -44.51 96.31 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 C-N-CA 120.461 -0.496 . . . . 0.0 109.984 179.186 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . 0.401 ' OD1' ' O ' ' A' ' 111' ' ' ASN . 20.7 t-20 -62.57 -32.36 73.33 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 179.556 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 48.7 mt -78.69 -1.06 32.61 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.043 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 83.12 15.25 72.66 Favored Glycine 0 CA--C 1.525 0.717 0 N-CA-C 110.88 -0.888 . . . . 0.0 110.88 -179.828 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 73.2 mt-10 -116.53 133.25 56.23 Favored 'General case' 0 N--CA 1.466 0.344 0 N-CA-C 109.928 -0.397 . . . . 0.0 109.928 179.662 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.54 112.98 9.97 Favored 'General case' 0 N--CA 1.467 0.421 0 N-CA-C 110.034 -0.358 . . . . 0.0 110.034 -179.883 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.905 HD22 ' N ' ' A' ' 116' ' ' LEU . 0.8 OUTLIER -103.14 158.31 16.39 Favored 'General case' 0 N--CA 1.466 0.373 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 -179.857 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . 0.417 HG22 ' N ' ' A' ' 118' ' ' ASP . 12.2 m -63.26 161.8 13.19 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.112 -0.635 . . . . 0.0 109.415 -179.389 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . 0.417 ' N ' HG22 ' A' ' 117' ' ' THR . 47.5 t0 -61.46 -37.56 84.04 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 120.453 -0.499 . . . . 0.0 110.467 -179.767 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -67.09 -30.95 71.13 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.736 -0.386 . . . . 0.0 110.608 179.301 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 56.0 mt-10 -70.58 -46.35 63.62 Favored 'General case' 0 N--CA 1.452 -0.334 0 C-N-CA 120.537 -0.465 . . . . 0.0 110.148 179.298 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 85.8 t -62.38 -48.19 89.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 C-N-CA 120.621 -0.432 . . . . 0.0 110.235 179.685 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -59.17 -39.41 82.39 Favored 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 120.665 -0.414 . . . . 0.0 110.125 179.665 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 -63.92 -47.75 79.31 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.576 -0.45 . . . . 0.0 110.59 179.539 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . 0.436 ' O ' ' N ' ' A' ' 128' ' ' ALA . 74.7 mtm -64.16 -41.92 96.94 Favored 'General case' 0 N--CA 1.449 -0.487 0 C-N-CA 120.679 -0.408 . . . . 0.0 110.224 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 4.4 mm -64.16 -45.28 96.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 C-N-CA 120.484 -0.486 . . . . 0.0 109.731 179.314 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 27.4 mmtp -68.33 -42.22 79.64 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.788 179.201 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 79.3 tt0 -72.82 -36.33 67.49 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.992 179.791 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 0.436 ' N ' ' O ' ' A' ' 124' ' ' MET . . . -71.73 -32.63 67.96 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.051 -179.425 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . 0.452 ' OD1' ' OD1' ' A' ' 133' ' ' ASP . 32.0 t0 -68.65 109.48 3.81 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.012 0.434 . . . . 0.0 111.769 -178.72 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.545 ' N ' ' OE2' ' A' ' 140' ' ' GLU . 48.3 tp -89.94 -30.41 17.86 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.558 179.229 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . 0.464 ' OD2' ' ND2' ' A' ' 137' ' ' ASN . 39.9 m-20 -78.39 -11.46 59.95 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 120.862 -0.335 . . . . 0.0 111.519 -178.425 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 70.03 25.18 75.93 Favored Glycine 0 CA--C 1.529 0.91 0 C-N-CA 120.328 -0.939 . . . . 0.0 111.366 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . 0.452 ' OD1' ' OD1' ' A' ' 129' ' ' ASP . 41.3 p-10 -94.56 -15.93 23.68 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 117.111 0.455 . . . . 0.0 110.246 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 91.59 0.97 71.86 Favored Glycine 0 C--N 1.33 0.231 0 N-CA-C 110.386 -1.086 . . . . 0.0 110.386 179.851 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 13.7 mt-30 -117.04 138.55 51.52 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.577 0.227 . . . . 0.0 110.564 -179.022 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 40.7 t -86.72 109.48 19.07 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.305 0 N-CA-C 108.419 -0.956 . . . . 0.0 108.419 178.328 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . 0.464 ' ND2' ' OD2' ' A' ' 131' ' ' ASP . 55.0 p30 -95.59 175.95 6.35 Favored 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 120.896 -0.322 . . . . 0.0 110.186 -179.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . 0.433 ' O ' HG12 ' A' ' 142' ' ' VAL . 63.1 t80 -51.7 -43.32 62.73 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.618 -0.433 . . . . 0.0 110.977 -179.155 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 14.1 tm-20 -60.33 -49.28 78.21 Favored 'General case' 0 N--CA 1.466 0.327 0 C-N-CA 120.64 -0.424 . . . . 0.0 111.019 -179.37 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . 0.545 ' OE2' ' N ' ' A' ' 130' ' ' LEU . 39.3 mt-10 -68.16 -39.42 82.59 Favored 'General case' 0 C--N 1.313 -0.99 0 C-N-CA 120.129 -0.628 . . . . 0.0 109.849 179.569 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 72.8 t80 -63.54 -55.14 26.25 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.131 -0.628 . . . . 0.0 110.188 -179.416 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . 0.554 HG13 ' N ' ' A' ' 143' ' ' LYS . 8.2 p -59.09 -44.78 92.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.65 -179.432 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 143' ' ' LYS . . . . . 0.554 ' N ' HG13 ' A' ' 142' ' ' VAL . 88.5 tttt -61.43 -50.08 74.25 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.704 179.348 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 44.0 ttp -61.33 -39.54 90.92 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.423 0.63 . . . . 0.0 109.335 178.833 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 36.8 ttm -64.51 -39.53 93.95 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.127 -0.942 . . . . 0.0 109.966 -179.767 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 89.5 mtp -63.17 -38.83 92.72 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 110.016 -0.365 . . . . 0.0 110.016 179.369 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 25.3 m . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.403 -179.711 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 80.4 tt0 . . . . . 0 C--O 1.232 0.168 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 51.8 tp10 -46.94 -38.12 10.08 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.716 -0.394 . . . . 0.0 110.367 -179.774 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 54.1 tp -60.9 -46.34 91.04 Favored 'General case' 0 C--N 1.331 -0.208 0 C-N-CA 120.274 -0.571 . . . . 0.0 110.36 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 15.5 mmmt -62.04 -38.97 90.76 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.516 -0.474 . . . . 0.0 110.326 179.647 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 47.0 tp10 -67.89 -52.57 34.95 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.557 -0.457 . . . . 0.0 110.114 179.626 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -52.02 -44.21 64.06 Favored 'General case' 0 N--CA 1.455 -0.225 0 N-CA-C 109.736 -0.468 . . . . 0.0 109.736 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 78.8 t80 -57.35 -45.89 83.89 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 179.46 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 65.0 mmtt -60.55 -33.46 72.71 Favored 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 120.779 -0.368 . . . . 0.0 110.695 179.252 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 97.1 t -72.57 -41.72 63.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 120.921 0.391 . . . . 0.0 110.478 179.139 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -60.21 -35.99 76.66 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.644 -0.422 . . . . 0.0 110.333 -179.458 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 38.1 t0 -70.59 77.89 0.59 Allowed 'General case' 0 C--N 1.324 -0.5 0 C-N-CA 120.428 -0.509 . . . . 0.0 110.951 -178.841 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -54.63 -50.19 68.71 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 120.361 -0.535 . . . . 0.0 109.986 -179.727 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . 0.404 ' OD2' ' OE2' ' A' ' 104' ' ' GLU . 4.6 m-20 -73.03 -0.64 14.45 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.953 0.406 . . . . 0.0 110.112 -179.854 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 49.4 tp60 46.2 33.67 1.86 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.01 -179.805 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 47.4 p-10 -88.62 -5.32 58.24 Favored 'General case' 0 N--CA 1.464 0.268 0 C-N-CA 120.719 -0.392 . . . . 0.0 111.322 -179.014 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 95.42 -13.78 66.1 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 12.9 m-85 -122.68 132.66 54.36 Favored 'General case' 0 N--CA 1.47 0.529 0 O-C-N 122.75 -0.264 . . . . 0.0 110.606 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 16.1 mt -82.11 125.6 39.81 Favored 'Isoleucine or valine' 0 C--O 1.232 0.169 0 N-CA-C 108.872 -0.788 . . . . 0.0 108.872 179.195 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 4.2 m -93.65 151.62 19.54 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.489 -179.358 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.458 ' HB1' HH12 ' A' ' 106' ' ' ARG . . . -51.26 -40.32 58.62 Favored 'General case' 0 C--N 1.331 -0.212 0 C-N-CA 120.364 -0.534 . . . . 0.0 109.916 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 69.2 m -60.95 -40.74 94.46 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 120.82 -0.352 . . . . 0.0 110.589 179.446 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.404 ' OE2' ' OD2' ' A' ' 95' ' ' ASP . 79.5 mt-10 -64.64 -39.31 93.47 Favored 'General case' 0 N--CA 1.442 -0.832 0 C-N-CA 120.591 -0.444 . . . . 0.0 110.339 179.626 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.594 HD13 ' O ' ' A' ' 105' ' ' LEU . 0.2 OUTLIER -63.59 -40.67 97.53 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-O 121.229 0.538 . . . . 0.0 109.907 179.824 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . 0.458 HH12 ' HB1' ' A' ' 102' ' ' ALA . 93.4 mtm-85 -61.9 -47.23 85.88 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 120.259 -0.576 . . . . 0.0 110.243 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 25.0 m170 -53.53 -42.56 67.54 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.771 -0.455 . . . . 0.0 109.771 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 90.4 t -64.49 -42.11 94.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.305 -0.407 . . . . 0.0 109.991 179.253 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 19.0 mmt -59.28 -43.7 92.51 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.603 -0.439 . . . . 0.0 110.179 -179.415 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.4 ' N ' HD12 ' A' ' 110' ' ' ILE . 2.0 mp -66.85 -42.79 89.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 C-N-CA 120.548 -0.461 . . . . 0.0 109.823 178.822 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 14.1 t-20 -58.6 -34.17 70.82 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.306 -0.406 . . . . 0.0 109.925 -179.78 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 8.4 mp -81.1 -2.25 47.57 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.063 179.308 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 82.3 18.91 65.63 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.954 -0.859 . . . . 0.0 110.954 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -119.79 135.21 54.95 Favored 'General case' 0 N--CA 1.468 0.45 0 N-CA-C 109.639 -0.504 . . . . 0.0 109.639 179.668 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.424 ' C ' HD22 ' A' ' 116' ' ' LEU . 18.0 pttp -137.76 116.28 12.05 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-O 120.77 0.319 . . . . 0.0 110.335 -179.679 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.898 HD22 ' N ' ' A' ' 116' ' ' LEU . 0.9 OUTLIER -105.9 157.57 17.39 Favored 'General case' 0 N--CA 1.467 0.381 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 -179.972 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 69.1 p -65.47 162.97 16.81 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 120.178 -0.609 . . . . 0.0 109.461 -179.644 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 91.5 m-20 -61.49 -40.46 94.62 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.408 -0.517 . . . . 0.0 110.562 -179.725 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . 0.404 ' OE1' ' N ' ' A' ' 119' ' ' GLU . 56.5 mp0 -59.16 -36.61 75.59 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.687 -0.405 . . . . 0.0 110.692 179.877 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -71.12 -48.28 53.13 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.449 -0.5 . . . . 0.0 110.348 179.159 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 99.4 t -63.36 -47.68 90.81 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.272 0 C-N-CA 120.634 -0.426 . . . . 0.0 110.191 179.71 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -60.48 -40.95 93.16 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.717 -0.393 . . . . 0.0 110.238 179.46 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 48.5 tp60 -66.3 -43.49 86.14 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 120.653 -0.419 . . . . 0.0 110.453 179.495 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 43.3 ttp -60.73 -41.84 96.12 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-O 120.782 0.325 . . . . 0.0 110.536 -179.704 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . 0.447 ' O ' ' OD1' ' A' ' 129' ' ' ASP . 6.7 mm -63.2 -44.55 99.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 N-CA-C 109.577 -0.527 . . . . 0.0 109.577 179.784 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -63.74 -43.4 96.57 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.046 179.63 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -68.39 -37.44 80.37 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.103 179.695 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -76.16 -29.66 57.81 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.307 -179.295 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . 0.447 ' OD1' ' O ' ' A' ' 125' ' ' ILE . 2.9 m-20 -74.32 113.33 11.41 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.17 0.509 . . . . 0.0 111.337 -179.067 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 9.5 tp -80.17 -28.31 38.81 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.405 179.804 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 39.2 p-10 -113.26 12.22 18.88 Favored 'General case' 0 N--CA 1.466 0.367 0 N-CA-C 111.729 0.27 . . . . 0.0 111.729 -179.13 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 41.04 39.64 2.1 Favored Glycine 0 CA--C 1.53 1.026 0 C-N-CA 120.484 -0.865 . . . . 0.0 111.379 179.64 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . 0.509 ' OD1' ' N ' ' A' ' 134' ' ' GLY . 49.1 p30 -71.12 -16.19 62.55 Favored 'General case' 0 C--O 1.228 -0.049 0 O-C-N 122.463 -0.433 . . . . 0.0 110.268 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . 0.509 ' N ' ' OD1' ' A' ' 133' ' ' ASP . . . 105.48 -14.0 47.05 Favored Glycine 0 C--N 1.332 0.358 0 N-CA-C 110.311 -1.116 . . . . 0.0 110.311 179.602 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . 0.478 ' N ' ' OD1' ' A' ' 133' ' ' ASP . 28.2 mp0 -132.23 147.91 52.43 Favored 'General case' 0 N--CA 1.448 -0.539 0 CA-C-O 120.743 0.306 . . . . 0.0 110.699 -178.752 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 43.8 t -81.55 119.95 32.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 N-CA-C 108.209 -1.034 . . . . 0.0 108.209 178.69 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 34.7 p30 -95.92 173.8 7.26 Favored 'General case' 0 N--CA 1.467 0.418 0 N-CA-C 110.11 -0.33 . . . . 0.0 110.11 179.776 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 84.6 t80 -53.27 -48.16 68.53 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.461 -0.496 . . . . 0.0 111.149 -178.798 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 80.4 tt0 -57.21 -45.25 83.96 Favored 'General case' 0 C--N 1.333 -0.11 0 CA-C-O 120.998 0.428 . . . . 0.0 110.859 -179.535 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 52.7 mt-10 -70.52 -37.32 74.09 Favored 'General case' 0 C--N 1.319 -0.724 0 C-N-CA 120.063 -0.655 . . . . 0.0 109.674 179.118 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 79.9 t80 -62.6 -56.88 13.79 Favored 'General case' 0 N--CA 1.454 -0.248 0 C-N-CA 120.171 -0.612 . . . . 0.0 109.925 -179.72 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . 0.547 HG13 ' N ' ' A' ' 143' ' ' LYS . 11.8 p -57.35 -44.71 84.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 N-CA-C 109.473 -0.565 . . . . 0.0 109.473 -179.595 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 143' ' ' LYS . . . . . 0.547 ' N ' HG13 ' A' ' 142' ' ' VAL . 65.8 tttm -61.94 -49.14 77.32 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.638 179.201 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 60.0 ttp -62.77 -39.62 94.73 Favored 'General case' 0 CA--C 1.513 -0.445 0 CA-C-O 121.676 0.75 . . . . 0.0 109.353 178.872 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 34.9 ttm -62.3 -40.24 95.65 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.103 -0.953 . . . . 0.0 110.064 179.753 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 74.9 mtp -66.07 -41.48 90.7 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.832 -0.347 . . . . 0.0 110.203 179.337 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 25.0 m . . . . . 0 C--N 1.331 -0.21 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.579 -179.585 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 . . . . . 0 N--CA 1.454 -0.244 0 N-CA-C 109.149 -0.686 . . . . 0.0 109.149 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -48.34 -43.74 33.62 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.619 -0.432 . . . . 0.0 110.446 -179.666 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.472 HD23 ' OH ' ' A' ' 138' ' ' TYR . 57.4 tp -62.79 -45.58 91.97 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.365 -0.534 . . . . 0.0 110.404 179.353 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 62.6 tttp -59.27 -33.73 71.41 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 120.434 -0.507 . . . . 0.0 110.221 179.765 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -68.74 -50.84 47.35 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 109.91 -0.404 . . . . 0.0 109.91 179.622 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -52.51 -47.35 66.7 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.333 -0.547 . . . . 0.0 109.875 179.761 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 32.1 t80 -56.71 -42.28 78.89 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.746 -0.382 . . . . 0.0 110.037 179.13 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.572 ' NZ ' HE22 ' A' ' 96' ' ' GLN . 62.3 tttp -61.1 -33.05 72.74 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.776 -0.369 . . . . 0.0 110.472 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 85.4 t -69.57 -46.4 75.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 C-N-CA 120.518 -0.473 . . . . 0.0 110.667 179.569 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -65.56 -34.44 78.26 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 120.448 -0.501 . . . . 0.0 110.211 179.615 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 41.0 t0 -71.16 60.36 0.27 Allowed 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 120.447 -0.501 . . . . 0.0 110.71 -179.36 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 55.6 mtpt -52.9 -48.19 67.38 Favored 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 120.343 -0.543 . . . . 0.0 110.215 -179.214 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -67.23 -7.71 26.08 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.941 0.4 . . . . 0.0 109.997 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . 0.572 HE22 ' NZ ' ' A' ' 90' ' ' LYS . 16.4 mm100 50.9 28.66 3.88 Favored 'General case' 0 C--N 1.325 -0.494 0 C-N-CA 120.414 -0.514 . . . . 0.0 110.184 -179.605 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . 0.428 ' OD1' ' O ' ' A' ' 99' ' ' TYR . 47.4 p30 -86.39 4.7 38.25 Favored 'General case' 0 C--N 1.328 -0.347 0 O-C-N 121.965 -0.459 . . . . 0.0 111.126 -179.156 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 81.02 -7.16 60.49 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 111.221 -0.751 . . . . 0.0 111.221 179.826 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.428 ' O ' ' OD1' ' A' ' 97' ' ' ASN . 39.2 m-85 -128.67 134.97 48.67 Favored 'General case' 0 N--CA 1.469 0.477 0 N-CA-C 110.203 -0.295 . . . . 0.0 110.203 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 30.4 mt -83.2 127.98 39.19 Favored 'Isoleucine or valine' 0 C--O 1.235 0.308 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 179.037 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 24.9 m -95.13 155.51 16.7 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 116.541 -0.299 . . . . 0.0 110.675 -179.335 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -51.62 -41.88 61.6 Favored 'General case' 0 C--N 1.331 -0.199 0 C-N-CA 120.251 -0.579 . . . . 0.0 110.076 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 79.3 p -60.05 -37.89 81.16 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 120.663 -0.415 . . . . 0.0 110.661 179.673 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 80.3 mt-10 -68.31 -39.05 82.13 Favored 'General case' 0 N--CA 1.448 -0.538 0 C-N-CA 120.448 -0.501 . . . . 0.0 110.463 179.401 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 30.8 tp -62.84 -42.54 99.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.1 0.476 . . . . 0.0 110.134 179.11 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 84.9 mtp180 -60.22 -45.35 93.51 Favored 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 120.211 -0.596 . . . . 0.0 109.861 179.787 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 11.7 t-160 -57.56 -42.64 83.42 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.481 -0.487 . . . . 0.0 109.783 179.436 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 63.2 t -62.94 -45.49 98.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 C-N-CA 120.578 -0.449 . . . . 0.0 110.183 179.023 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . 0.402 ' O ' ' O ' ' A' ' 114' ' ' GLU . 19.4 mmt -60.33 -42.68 96.16 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.549 -0.46 . . . . 0.0 110.157 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 95.7 mt -63.4 -44.03 98.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 179.038 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 26.2 t-20 -62.5 -35.14 78.43 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.698 -0.401 . . . . 0.0 110.074 179.544 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 49.4 mt -72.52 -5.04 34.24 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.864 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 85.37 17.6 62.11 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 110.888 -0.885 . . . . 0.0 110.888 179.754 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . 0.402 ' O ' ' O ' ' A' ' 109' ' ' MET . 97.2 mt-10 -126.9 143.21 51.34 Favored 'General case' 0 N--CA 1.467 0.381 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 179.655 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 18.6 ptmt -139.69 121.36 15.31 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-O 120.76 0.314 . . . . 0.0 110.182 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 48.2 mt -110.15 157.22 19.62 Favored 'General case' 0 N--CA 1.465 0.283 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 8.4 p -69.33 167.05 17.25 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.144 -0.623 . . . . 0.0 109.551 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 97.0 m-20 -62.57 -41.9 99.22 Favored 'General case' 0 C--N 1.332 -0.194 0 C-N-CA 120.417 -0.513 . . . . 0.0 110.777 -179.823 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 -54.58 -37.67 65.79 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.712 -0.395 . . . . 0.0 110.641 179.771 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 -73.04 -48.48 35.72 Favored 'General case' 0 N--CA 1.449 -0.491 0 C-N-CA 120.439 -0.504 . . . . 0.0 110.168 179.021 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 90.6 t -62.72 -47.63 91.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 C-N-CA 120.44 -0.504 . . . . 0.0 109.984 179.743 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -57.96 -36.89 73.21 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.511 -0.476 . . . . 0.0 110.342 179.601 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 83.5 mt-30 -71.6 -36.54 70.86 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.643 -0.423 . . . . 0.0 110.698 179.126 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 26.3 tpp -64.24 -44.68 91.06 Favored 'General case' 0 N--CA 1.448 -0.557 0 C-N-CA 120.788 -0.365 . . . . 0.0 110.302 -179.793 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . 0.431 HG22 ' OD2' ' A' ' 129' ' ' ASP . 12.1 mm -62.57 -48.6 87.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 C-N-CA 120.527 -0.469 . . . . 0.0 110.001 179.279 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -63.33 -43.7 97.01 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.75 179.456 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 81.8 tt0 -68.85 -37.51 79.16 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.915 179.585 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -76.14 -29.59 57.84 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.972 -179.611 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . 0.431 ' OD2' HG22 ' A' ' 125' ' ' ILE . 88.7 m-20 -76.34 118.73 19.33 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 120.403 -0.519 . . . . 0.0 111.37 -178.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 46.6 tp -74.9 -26.34 59.58 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.245 179.675 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . 0.432 ' O ' ' C ' ' A' ' 132' ' ' GLY . 43.7 p-10 -114.35 19.86 15.93 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 121.014 -0.274 . . . . 0.0 111.389 -179.219 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . 0.432 ' C ' ' O ' ' A' ' 131' ' ' ASP . . . 39.65 39.17 1.21 Allowed Glycine 0 CA--C 1.531 1.091 0 C-N-CA 120.28 -0.962 . . . . 0.0 111.369 -179.899 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . 0.556 ' OD1' ' N ' ' A' ' 134' ' ' GLY . 43.8 p-10 -76.91 -18.04 58.55 Favored 'General case' 0 CA--C 1.528 0.098 0 CA-C-N 117.132 0.466 . . . . 0.0 110.312 179.701 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . 0.556 ' N ' ' OD1' ' A' ' 133' ' ' ASP . . . 96.24 -10.29 67.48 Favored Glycine 0 C--N 1.33 0.2 0 N-CA-C 110.269 -1.132 . . . . 0.0 110.269 179.873 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . 0.51 ' N ' ' OD1' ' A' ' 133' ' ' ASP . 17.2 mt-30 -117.84 132.76 56.4 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-O 120.566 0.222 . . . . 0.0 110.403 -179.063 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 98.8 t -82.58 118.51 30.41 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.278 0 N-CA-C 108.671 -0.862 . . . . 0.0 108.671 178.603 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . 0.402 ' ND2' ' CE2' ' A' ' 99' ' ' TYR . 17.9 t-20 -95.79 170.13 9.53 Favored 'General case' 0 N--CA 1.47 0.571 0 N-CA-C 110.019 -0.363 . . . . 0.0 110.019 179.818 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . 0.472 ' OH ' HD23 ' A' ' 85' ' ' LEU . 60.9 t80 -53.14 -46.15 68.7 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.694 -0.402 . . . . 0.0 110.977 -178.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -56.55 -45.73 81.07 Favored 'General case' 0 CA--C 1.517 -0.302 0 C-N-CA 120.688 -0.405 . . . . 0.0 111.177 -179.42 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -69.54 -37.23 76.98 Favored 'General case' 0 C--N 1.313 -1.022 0 C-N-CA 119.993 -0.683 . . . . 0.0 110.111 179.383 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 33.5 t80 -63.5 -56.41 16.29 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 119.998 -0.681 . . . . 0.0 109.777 -179.512 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . 0.502 HG13 ' N ' ' A' ' 143' ' ' LYS . 11.7 p -57.72 -41.98 80.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-O 121.313 0.578 . . . . 0.0 109.971 -179.528 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 143' ' ' LYS . . . . . 0.502 ' N ' HG13 ' A' ' 142' ' ' VAL . 88.7 tttt -63.1 -50.53 70.17 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.564 -0.743 . . . . 0.0 109.688 178.905 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 47.6 ttp -62.96 -38.71 92.17 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.096 -0.705 . . . . 0.0 109.096 178.717 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 56.3 tpp -62.7 -41.02 98.91 Favored 'General case' 0 N--CA 1.443 -0.781 0 CA-C-N 115.367 -0.833 . . . . 0.0 109.573 -179.615 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 3.1 mmt -62.4 -37.89 87.5 Favored 'General case' 0 N--CA 1.452 -0.351 0 N-CA-C 109.896 -0.409 . . . . 0.0 109.896 179.53 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 9.8 m . . . . . 0 C--N 1.331 -0.211 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.583 -179.706 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 . . . . . 0 N--CA 1.456 -0.127 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 -47.14 -37.67 10.33 Favored 'General case' 0 C--N 1.328 -0.326 0 C-N-CA 120.699 -0.4 . . . . 0.0 110.542 -179.863 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 57.7 tp -62.24 -44.83 95.66 Favored 'General case' 0 C--N 1.332 -0.18 0 C-N-CA 120.365 -0.534 . . . . 0.0 110.223 179.702 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 27.8 tptp -62.86 -37.11 85.58 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 120.455 -0.498 . . . . 0.0 110.264 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 80.3 tt0 -67.38 -52.2 42.88 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 120.563 -0.455 . . . . 0.0 110.091 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -53.27 -43.84 67.76 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 120.553 -0.459 . . . . 0.0 109.808 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 75.6 t80 -56.84 -45.31 82.45 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.981 -0.377 . . . . 0.0 109.981 179.435 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 53.5 mtpt -63.32 -31.26 72.36 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.869 -0.333 . . . . 0.0 110.865 179.217 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 62.1 t -83.2 -24.17 8.2 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 C-N-CA 120.853 -0.339 . . . . 0.0 110.648 179.512 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -69.5 -34.82 74.86 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.7 -0.4 . . . . 0.0 110.829 179.569 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.536 ' OD2' ' N ' ' A' ' 98' ' ' GLY . 39.0 t0 -74.87 83.67 2.18 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 120.455 -0.498 . . . . 0.0 111.193 -178.542 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 64.2 tttp -55.48 -49.42 72.57 Favored 'General case' 0 C--N 1.333 -0.133 0 N-CA-C 109.545 -0.539 . . . . 0.0 109.545 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . 0.429 ' OD2' ' OE2' ' A' ' 104' ' ' GLU . 9.7 m-20 -71.19 -6.7 41.54 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.986 0.422 . . . . 0.0 109.934 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 89.3 mt-30 49.11 33.65 5.08 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.191 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . 0.739 ' ND2' ' H ' ' A' ' 99' ' ' TYR . 0.1 OUTLIER -88.49 -0.1 56.86 Favored 'General case' 0 N--CA 1.463 0.2 0 C-N-CA 120.969 -0.293 . . . . 0.0 111.416 -179.397 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . 0.55 ' N ' HD22 ' A' ' 97' ' ' ASN . . . 89.71 -4.32 83.58 Favored Glycine 0 CA--C 1.526 0.769 0 N-CA-C 111.427 -0.669 . . . . 0.0 111.427 179.649 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.739 ' H ' ' ND2' ' A' ' 97' ' ' ASN . 57.9 m-85 -131.17 137.23 48.89 Favored 'General case' 0 N--CA 1.466 0.344 0 O-C-N 122.81 -0.229 . . . . 0.0 110.443 -179.779 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.407 HD13 HG21 ' A' ' 100' ' ' ILE . 6.9 mt -86.22 127.88 39.88 Favored 'Isoleucine or valine' 0 C--O 1.237 0.421 0 N-CA-C 108.859 -0.793 . . . . 0.0 108.859 178.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . 0.472 ' CB ' HE22 ' A' ' 135' ' ' GLN . 15.2 m -99.38 155.23 17.64 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.539 -179.475 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -52.96 -41.37 64.46 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.289 -0.564 . . . . 0.0 110.079 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 67.0 m -60.17 -42.52 95.14 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 120.795 -0.362 . . . . 0.0 110.768 179.437 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.429 ' OE2' ' OD2' ' A' ' 95' ' ' ASP . 90.4 mt-10 -64.56 -37.95 89.32 Favored 'General case' 0 N--CA 1.442 -0.832 0 C-N-CA 120.653 -0.419 . . . . 0.0 110.199 179.669 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.572 HD13 ' O ' ' A' ' 105' ' ' LEU . 0.2 OUTLIER -63.89 -41.18 97.79 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-O 121.352 0.596 . . . . 0.0 109.942 179.735 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 95.3 mtm-85 -61.37 -45.72 93.2 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 120.371 -0.532 . . . . 0.0 110.127 -179.773 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 10.8 t-80 -57.89 -42.95 85.71 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.57 -0.452 . . . . 0.0 109.787 179.436 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 81.5 t -61.64 -45.93 97.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 C-N-CA 120.646 -0.422 . . . . 0.0 110.058 179.269 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . 0.453 ' O ' ' O ' ' A' ' 114' ' ' GLU . 36.7 mtt -57.67 -40.65 79.84 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.624 -0.43 . . . . 0.0 110.072 -179.761 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 97.1 mt -65.25 -43.2 95.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 C-N-CA 120.539 -0.464 . . . . 0.0 110.091 178.849 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 -62.16 -36.82 83.01 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.371 179.721 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 8.9 mp -75.47 -1.09 22.52 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.079 179.694 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 79.66 15.48 79.44 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 179.858 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . 0.453 ' O ' ' O ' ' A' ' 109' ' ' MET . 97.0 mt-10 -116.46 137.78 51.9 Favored 'General case' 0 N--CA 1.466 0.352 0 N-CA-C 109.875 -0.417 . . . . 0.0 109.875 179.672 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.18 111.48 7.51 Favored 'General case' 0 N--CA 1.47 0.525 0 N-CA-C 109.725 -0.472 . . . . 0.0 109.725 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.561 ' N ' HD12 ' A' ' 116' ' ' LEU . 6.2 mp -105.97 168.19 9.29 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 179.845 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 9.7 p -73.56 161.53 30.24 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.224 -0.59 . . . . 0.0 109.482 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 93.7 m-20 -62.01 -40.41 95.58 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.392 -0.523 . . . . 0.0 110.567 -179.659 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -56.27 -34.96 66.92 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 120.627 -0.429 . . . . 0.0 110.672 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 -73.85 -49.11 26.61 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 120.412 -0.515 . . . . 0.0 110.361 179.131 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 98.6 t -64.41 -44.52 97.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 C-N-CA 120.694 -0.402 . . . . 0.0 110.166 179.527 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -65.42 -41.45 93.55 Favored 'General case' 0 CA--C 1.516 -0.336 0 C-N-CA 120.889 -0.324 . . . . 0.0 110.34 179.392 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 56.8 tt0 -66.39 -43.05 86.95 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.614 -0.434 . . . . 0.0 110.578 179.262 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . 0.406 ' O ' ' N ' ' A' ' 128' ' ' ALA . 64.6 ttp -66.48 -41.19 89.33 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-O 120.91 0.386 . . . . 0.0 110.22 179.19 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 3.0 mm -61.24 -63.92 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 C-N-CA 120.311 -0.556 . . . . 0.0 109.787 179.762 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 16.9 ptmt -53.12 -37.59 61.9 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.627 -178.786 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 82.2 tt0 -73.38 -34.67 65.69 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.688 179.781 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 0.406 ' N ' ' O ' ' A' ' 124' ' ' MET . . . -69.03 -32.26 71.64 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.791 -0.641 . . . . 0.0 111.143 -179.462 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . 0.56 ' OD2' ' N ' ' A' ' 133' ' ' ASP . 35.0 t70 -75.4 121.95 23.04 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.141 0.496 . . . . 0.0 111.788 -179.055 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 10.2 tp -86.52 -24.81 25.39 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.623 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . 0.44 ' OD1' ' OD2' ' A' ' 129' ' ' ASP . 27.4 p30 -98.68 12.09 36.51 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 111.725 0.268 . . . . 0.0 111.725 -178.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . 0.549 ' N ' ' OD2' ' A' ' 129' ' ' ASP . . . 45.69 23.7 1.01 Allowed Glycine 0 CA--C 1.53 0.999 0 C-N-CA 120.378 -0.915 . . . . 0.0 111.258 179.728 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . 0.56 ' N ' ' OD2' ' A' ' 129' ' ' ASP . 45.2 p-10 -71.68 -16.59 62.25 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 117.043 0.421 . . . . 0.0 110.373 179.636 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . 0.453 ' N ' ' OD1' ' A' ' 133' ' ' ASP . . . 94.55 -5.33 70.22 Favored Glycine 0 N--CA 1.459 0.193 0 N-CA-C 110.205 -1.158 . . . . 0.0 110.205 179.644 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . 0.472 HE22 ' CB ' ' A' ' 101' ' ' SER . 60.8 mm-40 -122.69 142.68 50.43 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-O 120.857 0.36 . . . . 0.0 110.69 -178.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 24.3 t -87.07 115.63 28.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 N-CA-C 108.434 -0.95 . . . . 0.0 108.434 178.512 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 42.3 t30 -91.95 169.68 10.47 Favored 'General case' 0 N--CA 1.467 0.407 0 N-CA-C 110.176 -0.305 . . . . 0.0 110.176 179.359 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 89.1 t80 -50.4 -49.1 55.54 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.724 -0.39 . . . . 0.0 111.112 -178.764 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . 0.429 ' CG ' ' N ' ' A' ' 140' ' ' GLU . 10.5 pt-20 -58.27 -42.04 85.64 Favored 'General case' 0 N--CA 1.456 -0.172 0 CA-C-O 121.034 0.445 . . . . 0.0 110.797 -179.335 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . 0.429 ' N ' ' CG ' ' A' ' 139' ' ' GLU . 57.5 mt-10 -70.55 -38.96 74.24 Favored 'General case' 0 C--N 1.321 -0.651 0 C-N-CA 120.07 -0.652 . . . . 0.0 109.553 179.648 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 74.0 t80 -61.95 -55.5 28.82 Favored 'General case' 0 N--CA 1.455 -0.192 0 C-N-CA 120.051 -0.659 . . . . 0.0 110.307 -179.854 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . 0.483 HG13 ' N ' ' A' ' 143' ' ' LYS . 14.5 p -58.51 -41.26 81.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 -179.756 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 143' ' ' LYS . . . . . 0.483 ' N ' HG13 ' A' ' 142' ' ' VAL . 28.5 tptp -61.78 -49.73 75.2 Favored 'General case' 0 N--CA 1.446 -0.648 0 CA-C-N 115.925 -0.58 . . . . 0.0 109.901 179.217 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 8.1 tmm? -61.67 -37.09 82.82 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.068 -0.716 . . . . 0.0 109.068 178.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 45.5 tpp -64.73 -38.74 92.02 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.021 -0.99 . . . . 0.0 109.555 -179.732 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 75.6 mmm -64.12 -39.69 94.57 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.938 -0.393 . . . . 0.0 109.938 179.47 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 40.7 m . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.471 179.932 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 . . . . . 0 C--O 1.232 0.171 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 46.8 tp10 -44.68 -42.22 7.37 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.577 -0.449 . . . . 0.0 110.443 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 19.6 mt -62.94 -44.36 96.29 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.299 -0.56 . . . . 0.0 110.475 179.699 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -63.05 -41.5 99.49 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 120.329 -0.548 . . . . 0.0 109.925 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -65.1 -53.89 38.44 Favored 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 120.493 -0.483 . . . . 0.0 109.878 179.75 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -53.4 -47.33 69.63 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 120.434 -0.506 . . . . 0.0 109.73 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 42.7 t80 -56.62 -43.65 80.39 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.808 -0.441 . . . . 0.0 109.808 179.306 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 89.0 tttt -60.96 -33.09 72.66 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 120.742 -0.383 . . . . 0.0 110.577 179.777 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 69.5 t -69.74 -47.78 68.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 C-N-CA 120.407 -0.517 . . . . 0.0 110.962 179.457 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -63.16 -34.01 76.69 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.397 -0.521 . . . . 0.0 110.251 179.851 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.54 ' OD1' ' ND2' ' A' ' 97' ' ' ASN . 41.4 t0 -73.85 59.44 0.68 Allowed 'General case' 0 C--N 1.324 -0.5 0 C-N-CA 120.527 -0.469 . . . . 0.0 110.738 -179.284 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 67.7 mmtt -46.84 -44.74 19.66 Favored 'General case' 0 C--N 1.333 -0.135 0 C-N-CA 120.232 -0.587 . . . . 0.0 110.344 -179.631 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . 0.423 ' OD2' ' OE2' ' A' ' 104' ' ' GLU . 6.4 m-20 -71.92 -6.98 45.88 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 120.84 -0.344 . . . . 0.0 110.161 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . 0.513 ' N ' ' O ' ' A' ' 93' ' ' ASP . 77.4 mt-30 48.65 34.82 5.4 Favored 'General case' 0 C--N 1.322 -0.595 0 C-N-CA 120.55 -0.46 . . . . 0.0 110.223 -179.801 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . 0.769 ' ND2' ' H ' ' A' ' 99' ' ' TYR . 0.1 OUTLIER -90.46 2.78 55.34 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 120.74 -0.384 . . . . 0.0 111.215 -179.313 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . 0.593 ' N ' HD22 ' A' ' 97' ' ' ASN . . . 87.64 -8.87 75.96 Favored Glycine 0 CA--C 1.524 0.654 0 C-N-CA 120.8 -0.714 . . . . 0.0 111.418 179.593 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.769 ' H ' ' ND2' ' A' ' 97' ' ' ASN . 67.0 m-85 -130.97 135.8 47.96 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 116.673 0.236 . . . . 0.0 110.391 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 20.2 mt -83.44 127.51 39.67 Favored 'Isoleucine or valine' 0 C--O 1.235 0.303 0 N-CA-C 108.86 -0.793 . . . . 0.0 108.86 179.195 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 17.2 m -91.63 157.21 17.1 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.628 -179.315 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -52.15 -42.66 63.56 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 120.257 -0.577 . . . . 0.0 110.091 179.685 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 44.8 t -59.32 -40.21 85.56 Favored 'General case' 0 C--O 1.238 0.478 0 CA-C-O 120.909 0.385 . . . . 0.0 110.531 179.582 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.423 ' OE2' ' OD2' ' A' ' 95' ' ' ASP . 94.3 mt-10 -68.0 -38.56 82.8 Favored 'General case' 0 N--CA 1.448 -0.565 0 O-C-N 121.812 -0.555 . . . . 0.0 110.406 179.069 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.548 ' CD1' ' SD ' ' A' ' 109' ' ' MET . 0.2 OUTLIER -59.55 -40.77 88.35 Favored 'General case' 0 CA--C 1.537 0.458 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 179.642 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 84.2 mtp180 -63.12 -42.44 99.54 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.6 -0.519 . . . . 0.0 109.6 179.48 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . 0.415 ' CD2' HD11 ' A' ' 110' ' ' ILE . 11.1 t-80 -55.33 -32.41 62.48 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 109.57 -0.53 . . . . 0.0 109.57 179.15 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.508 ' O ' HD13 ' A' ' 112' ' ' LEU . 94.5 t -74.09 -44.09 50.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 C-N-CA 120.507 -0.477 . . . . 0.0 110.387 178.597 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . 0.567 ' N ' ' SD ' ' A' ' 109' ' ' MET . 0.0 OUTLIER -62.28 -48.14 81.2 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.291 -0.564 . . . . 0.0 111.296 -179.684 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.702 HD12 ' N ' ' A' ' 111' ' ' ASN . 2.7 pp -65.76 -42.92 93.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 C-N-CA 120.385 -0.526 . . . . 0.0 109.904 179.268 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . 0.702 ' N ' HD12 ' A' ' 110' ' ' ILE . 20.5 t30 -58.8 -33.89 70.87 Favored 'General case' 0 C--N 1.332 -0.157 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 179.881 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.508 HD13 ' O ' ' A' ' 108' ' ' VAL . 7.2 mp -80.18 -1.34 39.98 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.984 179.161 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 83.35 21.33 58.73 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -119.96 136.57 54.48 Favored 'General case' 0 N--CA 1.466 0.359 0 N-CA-C 109.634 -0.506 . . . . 0.0 109.634 179.743 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 31.4 pttt -130.22 112.81 13.71 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-O 120.634 0.254 . . . . 0.0 110.349 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 65.0 mt -109.18 155.25 21.27 Favored 'General case' 0 N--CA 1.466 0.334 0 N-CA-C 109.56 -0.533 . . . . 0.0 109.56 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . 0.405 HG22 ' N ' ' A' ' 118' ' ' ASP . 12.8 m -64.32 160.47 18.79 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.203 -0.599 . . . . 0.0 109.538 -179.763 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . 0.405 ' N ' HG22 ' A' ' 117' ' ' THR . 41.8 t0 -62.47 -35.55 79.68 Favored 'General case' 0 C--O 1.234 0.261 0 C-N-CA 120.475 -0.49 . . . . 0.0 110.467 -179.738 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -64.35 -34.61 78.55 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.688 -0.405 . . . . 0.0 110.646 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -71.26 -45.53 62.97 Favored 'General case' 0 N--CA 1.451 -0.411 0 C-N-CA 120.463 -0.495 . . . . 0.0 110.01 179.272 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 70.5 t -63.25 -49.22 83.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 C-N-CA 120.42 -0.512 . . . . 0.0 110.143 179.706 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -56.37 -36.68 69.11 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.621 -0.432 . . . . 0.0 110.215 179.447 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 59.1 tt0 -67.18 -38.46 85.44 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.569 -0.453 . . . . 0.0 110.472 179.359 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 93.9 mtp -64.35 -41.95 96.49 Favored 'General case' 0 N--CA 1.449 -0.513 0 C-N-CA 120.73 -0.388 . . . . 0.0 110.373 179.83 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 7.3 mm -62.73 -48.85 86.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 N-CA-C 109.761 -0.459 . . . . 0.0 109.761 179.213 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -63.42 -44.52 94.37 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.619 179.611 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 78.4 tt0 -68.07 -37.66 81.53 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.961 179.705 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -75.45 -31.0 60.15 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.21 -179.664 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . 0.423 ' OD2' ' OD1' ' A' ' 133' ' ' ASP . 2.1 m-20 -77.48 122.77 25.67 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 120.437 -0.505 . . . . 0.0 111.231 -178.607 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 5.8 tt -80.3 -24.17 40.17 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.488 179.82 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . 0.41 ' O ' ' C ' ' A' ' 132' ' ' GLY . 36.4 p30 -111.36 18.15 19.49 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 121.083 -0.247 . . . . 0.0 111.465 -179.086 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . 0.41 ' C ' ' O ' ' A' ' 131' ' ' ASP . . . 40.17 34.78 0.64 Allowed Glycine 0 CA--C 1.531 1.08 0 C-N-CA 120.306 -0.95 . . . . 0.0 111.464 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . 0.553 ' OD1' ' N ' ' A' ' 134' ' ' GLY . 51.2 p-10 -76.45 -18.16 58.93 Favored 'General case' 0 N--CA 1.461 0.123 0 C-N-CA 120.54 -0.464 . . . . 0.0 110.262 179.844 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . 0.553 ' N ' ' OD1' ' A' ' 133' ' ' ASP . . . 96.35 -10.52 67.27 Favored Glycine 0 C--N 1.331 0.263 0 N-CA-C 110.259 -1.136 . . . . 0.0 110.259 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . 0.478 ' N ' ' OD1' ' A' ' 133' ' ' ASP . 12.4 mt-30 -114.88 130.99 57.0 Favored 'General case' 0 N--CA 1.449 -0.516 0 N-CA-C 110.554 -0.165 . . . . 0.0 110.554 -178.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 94.7 t -79.92 121.15 32.71 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.254 0 N-CA-C 108.493 -0.929 . . . . 0.0 108.493 178.857 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . 0.442 ' OD1' ' CE2' ' A' ' 99' ' ' TYR . 57.7 t30 -96.31 164.36 12.68 Favored 'General case' 0 N--CA 1.471 0.625 0 N-CA-C 110.094 -0.336 . . . . 0.0 110.094 -179.864 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . 0.439 ' CE2' HG21 ' A' ' 142' ' ' VAL . 88.0 t80 -46.29 -50.68 15.84 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 120.604 -0.438 . . . . 0.0 111.009 -178.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 82.6 tt0 -58.81 -43.61 90.61 Favored 'General case' 0 CA--C 1.516 -0.357 0 C-N-CA 120.637 -0.425 . . . . 0.0 111.397 -179.172 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -65.37 -42.12 93.09 Favored 'General case' 0 C--N 1.317 -0.812 0 C-N-CA 119.981 -0.688 . . . . 0.0 110.28 179.84 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 49.8 t80 -62.3 -50.33 72.08 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.276 -0.638 . . . . 0.0 109.276 179.333 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . 0.439 HG21 ' CE2' ' A' ' 138' ' ' TYR . 47.7 t -58.85 -45.76 91.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.547 179.648 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 62.7 tttp -61.54 -49.53 76.31 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.782 -0.645 . . . . 0.0 109.83 179.404 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 13.2 tmm? -63.11 -41.07 99.28 Favored 'General case' 0 CA--C 1.51 -0.596 0 CA-C-O 121.549 0.69 . . . . 0.0 109.606 178.696 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 36.1 ttm -69.2 -41.22 77.4 Favored 'General case' 0 N--CA 1.445 -0.709 0 CA-C-N 115.256 -0.884 . . . . 0.0 110.274 -179.79 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 146' ' ' MET . . . . . 0.405 ' N ' ' O ' ' A' ' 142' ' ' VAL . 15.6 mmt -64.88 -39.2 93.17 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.08 179.471 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 33.4 m . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.275 -179.546 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.47 ' OE1' ' N ' ' A' ' 83' ' ' GLU . 57.0 mp0 . . . . . 0 C--O 1.231 0.112 0 N-CA-C 109.083 -0.71 . . . . 0.0 109.083 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -42.85 -46.42 5.27 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.559 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 74.0 mt -61.53 -43.7 98.38 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 120.525 -0.47 . . . . 0.0 110.449 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 36.5 mmtm -63.94 -44.18 93.62 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.331 -0.548 . . . . 0.0 110.446 179.09 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 84.9 tt0 -68.36 -50.44 53.19 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.639 -0.424 . . . . 0.0 110.208 179.57 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -55.48 -48.02 75.22 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.24 -0.437 . . . . 0.0 109.976 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.424 ' CD1' ' C ' ' A' ' 89' ' ' PHE . 29.9 t80 -57.7 -42.34 83.51 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.28 -0.418 . . . . 0.0 109.932 179.547 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 14.3 tptm -61.51 -32.35 72.38 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.805 -179.669 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 77.7 t -68.71 -45.53 81.1 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.299 0 C-N-CA 120.69 -0.404 . . . . 0.0 110.681 179.237 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -66.92 -33.18 75.02 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.494 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 43.9 t0 -73.74 59.62 0.67 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.432 -179.441 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 56.1 mtpt -51.83 -45.64 64.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 109.865 -179.014 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -68.81 -10.25 55.71 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.975 0.417 . . . . 0.0 110.007 -179.495 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 52.54 28.21 5.8 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.506 -179.724 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 37.0 p-10 -86.72 5.25 37.17 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.315 -179.097 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 80.17 -3.92 69.47 Favored Glycine 0 CA--C 1.527 0.788 0 N-CA-C 111.462 -0.655 . . . . 0.0 111.462 179.402 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 38.6 m-85 -131.44 135.56 47.24 Favored 'General case' 0 N--CA 1.468 0.46 0 N-CA-C 110.424 -0.213 . . . . 0.0 110.424 -179.839 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 43.8 mt -84.77 128.9 38.53 Favored 'Isoleucine or valine' 0 C--O 1.237 0.397 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 178.589 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 36.4 t -98.21 159.33 15.01 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.616 -179.175 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -51.84 -41.39 61.78 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.504 -0.478 . . . . 0.0 109.726 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 70.2 m -56.75 -40.72 76.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.015 0.436 . . . . 0.0 110.384 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 92.0 mt-10 -71.84 -38.33 70.16 Favored 'General case' 0 N--CA 1.441 -0.881 0 CA-C-O 120.719 0.295 . . . . 0.0 110.868 179.19 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.571 HD13 ' O ' ' A' ' 105' ' ' LEU . 0.2 OUTLIER -60.34 -44.5 95.46 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 120.987 0.422 . . . . 0.0 110.38 -178.872 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 9.0 ptm180 -69.67 -39.67 76.86 Favored 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 120.312 -0.555 . . . . 0.0 109.84 179.368 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 14.2 t-80 -57.35 -42.76 82.6 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 109.665 -0.495 . . . . 0.0 109.665 179.81 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 57.2 t -65.43 -43.85 94.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.063 179.1 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 11.7 mmt -60.36 -41.98 94.82 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.539 -0.465 . . . . 0.0 110.311 -179.496 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 96.5 mt -65.07 -43.56 95.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.943 0.401 . . . . 0.0 109.99 179.238 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 22.9 t30 -59.95 -33.27 71.7 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.282 179.763 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -83.19 -1.83 53.98 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.063 179.73 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 86.47 20.16 55.11 Favored Glycine 0 N--CA 1.464 0.505 0 N-CA-C 111.109 -0.796 . . . . 0.0 111.109 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 -117.6 130.98 56.73 Favored 'General case' 0 N--CA 1.465 0.294 0 N-CA-C 109.754 -0.462 . . . . 0.0 109.754 179.508 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 8.9 ptmm? -136.38 116.29 13.2 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-O 120.989 0.423 . . . . 0.0 110.624 -179.627 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 1.6 mp -113.79 162.02 16.82 Favored 'General case' 0 N--CA 1.464 0.274 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 24.6 p -70.24 167.29 18.26 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.2 -0.6 . . . . 0.0 109.489 -179.758 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 91.4 m-20 -62.74 -38.93 92.48 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.615 -0.434 . . . . 0.0 110.447 -179.412 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . 0.451 ' OE1' ' N ' ' A' ' 119' ' ' GLU . 58.5 mp0 -63.87 -34.77 78.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.678 179.836 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 65.8 mt-10 -70.82 -47.25 60.46 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.292 179.014 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 87.7 t -64.33 -47.18 90.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 N-CA-C 109.987 -0.375 . . . . 0.0 109.987 179.656 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 80.8 tt0 -57.59 -37.2 72.82 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.784 -0.45 . . . . 0.0 109.784 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 57.2 tt0 -65.21 -42.23 93.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.243 179.432 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 80.2 mmm -65.88 -42.72 89.95 Favored 'General case' 0 N--CA 1.448 -0.571 0 CA-C-O 120.687 0.279 . . . . 0.0 110.722 179.837 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 36.9 mm -63.87 -45.26 97.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 179.804 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 38.4 mmtm -66.66 -42.64 86.3 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.366 -0.834 . . . . 0.0 110.864 179.549 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 80.4 tt0 -70.35 -36.41 74.18 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.839 -179.787 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -77.44 -29.18 52.77 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.349 -179.031 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . 0.437 ' OD1' ' OD1' ' A' ' 133' ' ' ASP . 41.5 t0 -71.35 105.44 3.51 Favored 'General case' 0 CA--C 1.507 -0.683 0 CA-C-O 121.322 0.582 . . . . 0.0 112.058 -179.121 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.536 ' H ' ' CD ' ' A' ' 140' ' ' GLU . 50.9 tp -87.35 -29.14 21.76 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 115.14 -0.936 . . . . 0.0 111.574 179.222 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 36.8 m-20 -79.6 -11.35 59.88 Favored 'General case' 0 N--CA 1.464 0.23 0 C-N-CA 120.887 -0.325 . . . . 0.0 111.668 -178.497 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 70.0 22.31 77.11 Favored Glycine 0 CA--C 1.529 0.933 0 C-N-CA 120.724 -0.751 . . . . 0.0 111.348 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . 0.509 ' O ' ' NE2' ' A' ' 135' ' ' GLN . 38.8 p-10 -89.46 -15.0 34.09 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-N 116.941 0.371 . . . . 0.0 110.555 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 89.37 5.6 72.19 Favored Glycine 0 N--CA 1.46 0.236 0 N-CA-C 110.144 -1.182 . . . . 0.0 110.144 179.402 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . 0.509 ' NE2' ' O ' ' A' ' 133' ' ' ASP . 3.2 mp0 -123.16 144.62 49.23 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-N 115.48 -0.36 . . . . 0.0 110.629 -178.76 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 49.0 t -92.16 109.99 22.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 N-CA-C 108.778 -0.823 . . . . 0.0 108.778 178.689 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . 0.449 ' CG ' ' H ' ' A' ' 138' ' ' TYR . 26.7 t-20 -93.67 175.62 6.67 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 109.975 -0.38 . . . . 0.0 109.975 179.564 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . 0.449 ' H ' ' CG ' ' A' ' 137' ' ' ASN . 76.2 t80 -53.81 -43.21 69.17 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.828 -178.824 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 80.0 tt0 -61.68 -46.59 89.07 Favored 'General case' 0 C--O 1.226 -0.182 0 C-N-CA 120.913 -0.315 . . . . 0.0 110.868 -179.399 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . 0.536 ' CD ' ' H ' ' A' ' 130' ' ' LEU . 65.3 mt-10 -70.63 -37.66 73.82 Favored 'General case' 0 C--N 1.321 -0.635 0 C-N-CA 119.825 -0.75 . . . . 0.0 109.873 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 50.6 t80 -63.79 -54.08 40.84 Favored 'General case' 0 C--O 1.232 0.14 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.601 179.711 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . 0.511 HG13 ' N ' ' A' ' 143' ' ' LYS . 7.0 p -61.01 -43.7 96.67 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.151 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 -179.132 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 143' ' ' LYS . . . . . 0.511 ' N ' HG13 ' A' ' 142' ' ' VAL . 66.5 tttm -60.47 -50.44 73.55 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.938 179.335 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 15.0 tmm? -62.87 -37.79 88.29 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.56 0.695 . . . . 0.0 109.567 179.174 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 43.1 tpp -64.59 -39.94 94.62 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 114.905 -1.043 . . . . 0.0 109.575 179.61 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 88.5 mtp -63.29 -35.15 79.41 Favored 'General case' 0 CA--C 1.52 -0.187 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 179.701 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 25.6 m . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.576 179.72 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 80.8 tt0 . . . . . 0 N--CA 1.457 -0.113 0 N-CA-C 108.688 -0.856 . . . . 0.0 108.688 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 83.1 tt0 -45.98 -46.77 16.55 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.063 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 66.7 mt -62.01 -44.68 96.2 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 120.313 -0.555 . . . . 0.0 110.478 179.338 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 89.0 tttt -65.03 -44.36 89.37 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.566 -0.454 . . . . 0.0 110.198 179.356 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 9.4 tm-20 -68.51 -52.6 30.41 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.533 -0.467 . . . . 0.0 110.242 179.645 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -52.18 -42.81 63.76 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.476 ' CD1' HD11 ' A' ' 100' ' ' ILE . 70.8 t80 -58.95 -43.55 91.26 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 109.897 -0.409 . . . . 0.0 109.897 179.094 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -60.4 -32.35 71.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.532 -0.304 . . . . 0.0 110.499 179.689 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 80.7 t -72.32 -41.88 65.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-O 120.897 0.38 . . . . 0.0 110.656 179.07 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -61.52 -35.1 76.77 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.848 -0.341 . . . . 0.0 110.359 -179.479 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.441 ' OD1' ' OD1' ' A' ' 97' ' ' ASN . 38.8 t0 -72.75 70.99 0.99 Allowed 'General case' 0 C--N 1.323 -0.545 0 C-N-CA 120.503 -0.479 . . . . 0.0 110.954 -178.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -51.45 -46.41 63.04 Favored 'General case' 0 C--N 1.332 -0.17 0 C-N-CA 120.463 -0.495 . . . . 0.0 109.707 -179.357 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . 0.429 ' OD2' ' OE2' ' A' ' 104' ' ' GLU . 3.7 m-20 -76.99 5.53 7.85 Favored 'General case' 0 CA--C 1.513 -0.462 0 N-CA-C 110.001 -0.37 . . . . 0.0 110.001 -179.833 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 12.4 pt20 37.99 32.31 0.04 OUTLIER 'General case' 0 CA--C 1.531 0.235 0 O-C-N 123.326 0.391 . . . . 0.0 110.815 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . 0.441 ' OD1' ' OD1' ' A' ' 93' ' ' ASP . 43.7 p-10 -83.9 -5.69 59.27 Favored 'General case' 0 C--N 1.331 -0.208 0 C-N-CA 120.806 -0.358 . . . . 0.0 111.01 -178.424 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . 0.4 ' N ' ' OD2' ' A' ' 93' ' ' ASP . . . 97.91 -7.43 62.81 Favored Glycine 0 CA--C 1.528 0.868 0 N-CA-C 111.342 -0.703 . . . . 0.0 111.342 179.809 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 76.4 m-85 -134.12 138.55 45.3 Favored 'General case' 0 N--CA 1.467 0.419 0 O-C-N 122.789 -0.242 . . . . 0.0 110.418 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.476 HD11 ' CD1' ' A' ' 89' ' ' PHE . 23.8 mt -85.54 128.83 38.82 Favored 'Isoleucine or valine' 0 C--O 1.241 0.613 0 N-CA-C 108.944 -0.761 . . . . 0.0 108.944 179.104 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 30.3 t -96.07 155.3 16.82 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.532 -179.391 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -53.11 -42.66 66.2 Favored 'General case' 0 C--N 1.331 -0.229 0 C-N-CA 120.385 -0.526 . . . . 0.0 109.949 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . 0.403 ' HA ' ' HE ' ' A' ' 106' ' ' ARG . 51.0 m -59.27 -43.12 92.52 Favored 'General case' 0 C--N 1.332 -0.195 0 C-N-CA 120.768 -0.373 . . . . 0.0 110.424 179.711 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.429 ' OE2' ' OD2' ' A' ' 95' ' ' ASP . 89.3 mt-10 -62.81 -38.47 90.84 Favored 'General case' 0 N--CA 1.444 -0.748 0 C-N-CA 120.612 -0.435 . . . . 0.0 110.259 179.574 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.551 HD13 ' O ' ' A' ' 105' ' ' LEU . 0.2 OUTLIER -63.14 -41.55 99.32 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-O 121.259 0.552 . . . . 0.0 110.058 179.743 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . 0.403 ' HE ' ' HA ' ' A' ' 103' ' ' SER . 82.2 mtm180 -63.87 -47.92 78.77 Favored 'General case' 0 C--O 1.22 -0.487 0 C-N-CA 120.403 -0.519 . . . . 0.0 109.857 -179.756 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 46.2 t-80 -51.8 -38.87 57.4 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 179.74 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 69.7 t -63.86 -42.24 95.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 116.22 -0.446 . . . . 0.0 109.827 178.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . 0.571 ' SD ' ' N ' ' A' ' 109' ' ' MET . 0.0 OUTLIER -59.47 -42.97 93.25 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.538 -0.465 . . . . 0.0 110.111 -179.876 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 13.1 mm -63.55 -47.05 93.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 N-CA-C 109.506 -0.554 . . . . 0.0 109.506 179.728 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 8.1 t-20 -58.84 -34.89 72.07 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.774 -0.454 . . . . 0.0 109.774 179.569 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 40.6 mt -77.18 -3.07 37.66 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.919 179.83 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 77.05 17.14 80.06 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 179.789 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -116.11 140.71 49.01 Favored 'General case' 0 N--CA 1.466 0.351 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.428 ' C ' HD12 ' A' ' 116' ' ' LEU . 15.9 pttm -131.31 106.66 8.43 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-O 120.884 0.374 . . . . 0.0 110.028 -179.739 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.577 ' N ' HD12 ' A' ' 116' ' ' LEU . 8.1 mp -95.61 165.95 12.08 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.7 -0.481 . . . . 0.0 109.7 179.798 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 4.2 p -70.34 152.98 43.53 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.253 -0.579 . . . . 0.0 109.552 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 93.5 m-20 -63.18 -41.71 99.26 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.515 -0.474 . . . . 0.0 110.521 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -65.03 -31.23 72.37 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.776 -0.37 . . . . 0.0 110.422 179.859 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 15.6 tp10 -69.57 -43.08 73.59 Favored 'General case' 0 N--CA 1.448 -0.552 0 C-N-CA 120.545 -0.462 . . . . 0.0 109.97 179.142 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 79.1 t -65.49 -45.03 93.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 C-N-CA 120.606 -0.438 . . . . 0.0 109.971 -179.734 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -60.38 -41.61 94.16 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.71 -0.396 . . . . 0.0 110.456 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 83.8 mt-30 -64.93 -41.69 95.32 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 120.671 -0.412 . . . . 0.0 110.685 179.19 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 34.5 ttm -64.64 -42.4 95.48 Favored 'General case' 0 N--CA 1.449 -0.506 0 C-N-CA 120.82 -0.352 . . . . 0.0 110.204 179.798 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 7.1 mm -63.87 -45.77 96.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 121.129 0.49 . . . . 0.0 109.832 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -65.5 -42.84 91.66 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.852 179.113 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 42.3 tp10 -70.27 -36.27 74.31 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.961 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -73.2 -31.08 63.97 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.296 -179.432 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . 0.446 ' OD1' ' OD1' ' A' ' 133' ' ' ASP . 33.8 t0 -69.03 107.83 3.3 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.22 0.533 . . . . 0.0 111.748 -179.126 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.515 ' H ' ' CD ' ' A' ' 140' ' ' GLU . 39.5 tp -87.91 -31.74 19.29 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.589 179.806 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 39.4 m-20 -77.29 -11.51 59.84 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.925 -0.31 . . . . 0.0 111.672 -178.528 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 69.06 30.46 72.06 Favored Glycine 0 CA--C 1.526 0.764 0 C-N-CA 120.407 -0.901 . . . . 0.0 111.358 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . 0.446 ' OD1' ' OD1' ' A' ' 129' ' ' ASP . 37.9 p-10 -100.43 -13.38 18.75 Favored 'General case' 0 N--CA 1.467 0.425 0 CA-C-N 117.115 0.457 . . . . 0.0 110.537 179.79 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 90.08 -2.22 81.29 Favored Glycine 0 N--CA 1.459 0.227 0 N-CA-C 110.205 -1.158 . . . . 0.0 110.205 179.68 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 13.6 mt-30 -113.54 138.12 50.6 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.694 0.283 . . . . 0.0 110.58 -178.867 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 37.4 t -82.67 113.85 22.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 N-CA-C 108.256 -1.016 . . . . 0.0 108.256 178.38 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . 0.416 ' CG ' ' N ' ' A' ' 138' ' ' TYR . 22.7 t-20 -97.02 172.47 7.83 Favored 'General case' 0 N--CA 1.469 0.493 0 N-CA-C 110.116 -0.327 . . . . 0.0 110.116 179.671 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . 0.416 ' N ' ' CG ' ' A' ' 137' ' ' ASN . 88.0 t80 -49.89 -48.65 51.31 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 120.674 -0.41 . . . . 0.0 111.086 -178.686 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 80.7 tt0 -59.28 -45.25 91.73 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.784 -0.366 . . . . 0.0 111.135 -179.738 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . 0.515 ' CD ' ' H ' ' A' ' 130' ' ' LEU . 69.4 mt-10 -68.92 -40.54 78.99 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 120.22 -0.592 . . . . 0.0 110.092 179.622 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 74.7 t80 -60.56 -49.06 79.06 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.136 -0.69 . . . . 0.0 109.136 179.317 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 44.6 t -60.79 -47.28 93.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 179.175 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 65.2 tttm -61.18 -46.68 89.49 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.893 179.752 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 51.9 ttp -62.68 -40.39 96.94 Favored 'General case' 0 CA--C 1.513 -0.474 0 CA-C-O 121.572 0.701 . . . . 0.0 109.31 178.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 37.3 tpp -65.02 -36.42 84.34 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.135 -0.939 . . . . 0.0 109.987 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 70.5 mtp -63.52 -40.0 95.91 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.985 -0.376 . . . . 0.0 109.985 179.422 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 27.0 m . . . . . 0 C--N 1.33 -0.24 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.519 -179.987 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 . . . . . 0 N--CA 1.456 -0.157 0 N-CA-C 109.054 -0.721 . . . . 0.0 109.054 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -46.7 -43.56 17.97 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.645 -0.422 . . . . 0.0 110.487 -179.124 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.647 ' O ' HD23 ' A' ' 85' ' ' LEU . 1.9 tt -61.48 -44.81 96.43 Favored 'General case' 0 C--N 1.333 -0.134 0 C-N-CA 120.294 -0.562 . . . . 0.0 110.557 179.715 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 34.2 ttmt -60.66 -37.13 80.54 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.345 -0.542 . . . . 0.0 110.532 179.107 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 9.0 tm-20 -68.64 -50.78 48.59 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-O 121.084 0.469 . . . . 0.0 110.265 179.57 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -52.89 -46.77 68.12 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-O 121.332 0.587 . . . . 0.0 110.128 179.572 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 46.4 t80 -56.18 -42.46 77.12 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.203 -0.453 . . . . 0.0 109.999 178.638 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.419 ' HG3' HE22 ' A' ' 96' ' ' GLN . 3.4 ttmp? -60.98 -32.07 71.64 Favored 'General case' 0 CA--C 1.53 0.187 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.478 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 91.1 t -70.18 -46.32 72.57 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.201 0 C-N-CA 120.579 -0.448 . . . . 0.0 110.484 179.848 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.402 ' O ' ' N ' ' A' ' 94' ' ' LYS . 2.7 m-85 -65.5 -34.07 77.4 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.447 -0.501 . . . . 0.0 110.311 -179.745 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 32.9 t0 -69.61 59.24 0.14 Allowed 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.44 -0.504 . . . . 0.0 111.032 -179.625 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.402 ' N ' ' O ' ' A' ' 92' ' ' PHE . 29.1 ttpt -50.6 -47.61 58.08 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.356 -0.538 . . . . 0.0 110.084 -179.136 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . 0.43 ' OD2' ' OE2' ' A' ' 104' ' ' GLU . 4.3 m-20 -69.1 -8.62 46.98 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.159 0.504 . . . . 0.0 110.092 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . 0.419 HE22 ' HG3' ' A' ' 90' ' ' LYS . 42.3 tp60 50.26 33.08 6.85 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.133 0.492 . . . . 0.0 110.088 -179.571 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 35.8 p-10 -93.57 8.61 40.1 Favored 'General case' 0 C--N 1.329 -0.312 0 O-C-N 121.949 -0.469 . . . . 0.0 111.307 -179.062 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 81.01 -7.93 58.57 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 111.293 -0.723 . . . . 0.0 111.293 179.684 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 39.8 m-85 -128.5 134.1 48.61 Favored 'General case' 0 N--CA 1.47 0.532 0 O-C-N 122.741 -0.27 . . . . 0.0 110.302 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 42.8 mt -83.92 125.72 40.19 Favored 'Isoleucine or valine' 0 C--O 1.235 0.31 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 178.765 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 20.0 t -86.23 155.9 20.51 Favored 'General case' 0 N--CA 1.471 0.619 0 CA-C-N 116.596 -0.275 . . . . 0.0 110.456 -179.123 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -52.93 -43.37 66.21 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.212 -0.595 . . . . 0.0 110.121 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . 0.466 ' O ' ' CE1' ' A' ' 107' ' ' HIS . 49.7 m -58.88 -38.49 78.94 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-O 120.982 0.42 . . . . 0.0 110.446 179.388 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.43 ' OE2' ' OD2' ' A' ' 95' ' ' ASP . 93.3 mt-10 -69.14 -38.85 79.03 Favored 'General case' 0 N--CA 1.444 -0.763 0 C-N-CA 120.5 -0.48 . . . . 0.0 110.173 -179.856 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 27.6 tp -62.54 -42.73 99.72 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-O 121.358 0.599 . . . . 0.0 110.283 179.177 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 85.5 mtp180 -57.59 -46.37 84.11 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.356 -0.538 . . . . 0.0 110.28 178.861 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . 0.466 ' CE1' ' O ' ' A' ' 103' ' ' SER . 21.8 m170 -56.34 -41.01 75.39 Favored 'General case' 0 N--CA 1.456 -0.135 0 N-CA-C 109.673 -0.492 . . . . 0.0 109.673 179.608 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 82.5 t -61.78 -47.57 92.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.188 179.3 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . 0.519 ' SD ' ' N ' ' A' ' 109' ' ' MET . 0.0 OUTLIER -58.9 -43.93 91.14 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.469 -0.492 . . . . 0.0 110.121 -179.884 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.606 HG23 ' NZ ' ' A' ' 115' ' ' LYS . 92.6 mt -62.65 -42.76 97.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 C-N-CA 120.436 -0.506 . . . . 0.0 109.993 179.061 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . 0.4 ' OD1' ' C ' ' A' ' 111' ' ' ASN . 19.3 t-20 -64.04 -36.93 85.61 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.092 0.472 . . . . 0.0 109.94 -179.608 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -69.15 -5.51 22.91 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.04 179.846 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 85.02 15.88 66.29 Favored Glycine 0 CA--C 1.526 0.745 0 N-CA-C 110.926 -0.869 . . . . 0.0 110.926 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 19.3 pt-20 -122.16 139.22 54.01 Favored 'General case' 0 N--CA 1.467 0.42 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 179.71 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.606 ' NZ ' HG23 ' A' ' 110' ' ' ILE . 10.8 mttp -130.72 113.8 14.58 Favored 'General case' 0 N--CA 1.467 0.408 0 N-CA-C 109.961 -0.385 . . . . 0.0 109.961 -179.662 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 45.0 mt -108.22 154.99 20.96 Favored 'General case' 0 N--CA 1.464 0.271 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 179.798 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 60.7 p -67.82 165.11 18.17 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.044 -0.662 . . . . 0.0 109.572 -179.515 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -62.38 -39.84 94.51 Favored 'General case' 0 C--N 1.332 -0.164 0 C-N-CA 120.32 -0.552 . . . . 0.0 110.799 -179.791 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -57.29 -36.52 71.15 Favored 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 120.718 -0.393 . . . . 0.0 110.603 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -71.6 -47.79 52.41 Favored 'General case' 0 N--CA 1.448 -0.565 0 C-N-CA 120.611 -0.436 . . . . 0.0 110.202 179.329 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 73.3 t -63.48 -47.11 93.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 C-N-CA 120.628 -0.429 . . . . 0.0 110.054 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 79.2 mt-10 -62.72 -39.54 94.38 Favored 'General case' 0 C--N 1.332 -0.189 0 C-N-CA 120.581 -0.447 . . . . 0.0 110.321 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 10.6 tp-100 -70.34 -38.64 74.9 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 120.604 -0.438 . . . . 0.0 110.607 179.121 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 41.0 tpp -65.07 -41.93 94.61 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-O 120.949 0.404 . . . . 0.0 110.22 -179.109 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . 0.5 ' O ' ' N ' ' A' ' 129' ' ' ASP . 58.1 mt -64.82 -46.21 92.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-O 121.189 0.519 . . . . 0.0 109.93 179.774 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -63.42 -42.57 98.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.522 179.394 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 33.2 tp10 -70.34 -33.01 70.96 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.12 0.486 . . . . 0.0 110.972 178.681 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -85.64 -29.37 24.1 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.791 -179.314 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . 0.5 ' N ' ' O ' ' A' ' 125' ' ' ILE . 35.4 t0 -61.98 93.69 0.05 OUTLIER 'General case' 0 CA--C 1.516 -0.35 0 C-N-CA 120.369 -0.533 . . . . 0.0 111.369 -179.079 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 3.8 tt -72.66 -36.3 67.91 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.443 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . 0.461 ' OD2' ' OE2' ' A' ' 140' ' ' GLU . 27.5 m-20 -76.21 -9.6 58.75 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 120.806 -0.358 . . . . 0.0 111.435 -178.475 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 65.73 30.52 77.46 Favored Glycine 0 CA--C 1.531 1.081 0 C-N-CA 120.185 -1.007 . . . . 0.0 111.374 -179.869 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . 0.468 ' N ' ' OD2' ' A' ' 129' ' ' ASP . 26.7 p-10 -99.61 -10.87 21.49 Favored 'General case' 0 C--N 1.337 0.065 0 O-C-N 122.316 -0.52 . . . . 0.0 110.379 179.679 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 84.37 2.89 88.96 Favored Glycine 0 C--N 1.331 0.28 0 N-CA-C 110.363 -1.095 . . . . 0.0 110.363 179.824 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 10.4 mt-30 -114.34 141.96 46.95 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-O 120.715 0.293 . . . . 0.0 110.571 -179.057 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 11.0 t -90.88 100.64 11.46 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.228 0 N-CA-C 108.429 -0.952 . . . . 0.0 108.429 178.757 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . 0.615 ' H ' ' CG ' ' A' ' 140' ' ' GLU . 61.2 t30 -97.98 -174.46 2.87 Favored 'General case' 0 N--CA 1.467 0.381 0 N-CA-C 110.06 -0.348 . . . . 0.0 110.06 -178.756 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . 0.517 ' CE2' HG21 ' A' ' 142' ' ' VAL . 43.7 t80 -54.71 -47.02 74.24 Favored 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 120.515 -0.474 . . . . 0.0 111.356 -178.804 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -60.7 -52.1 66.54 Favored 'General case' 0 CA--C 1.519 -0.233 0 C-N-CA 120.603 -0.439 . . . . 0.0 111.55 -177.489 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . 0.615 ' CG ' ' H ' ' A' ' 137' ' ' ASN . 0.5 OUTLIER -66.92 -38.69 86.67 Favored 'General case' 0 C--N 1.312 -1.055 0 C-N-CA 120.348 -0.541 . . . . 0.0 110.108 -179.843 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . 0.455 ' O ' ' N ' ' A' ' 145' ' ' MET . 42.0 t80 -62.02 -50.52 71.7 Favored 'General case' 0 C--N 1.334 -0.102 0 N-CA-C 109.036 -0.727 . . . . 0.0 109.036 -179.703 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . 0.517 HG21 ' CE2' ' A' ' 138' ' ' TYR . 24.6 t -60.25 -46.5 94.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 -179.422 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 63.8 tttp -61.83 -49.69 75.29 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.83 -0.623 . . . . 0.0 109.838 179.181 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 48.7 ttp -63.96 -40.4 96.34 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.567 0.699 . . . . 0.0 109.289 179.122 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . 0.455 ' N ' ' O ' ' A' ' 141' ' ' PHE . 29.0 ttm -62.13 -39.32 92.15 Favored 'General case' 0 N--CA 1.442 -0.835 0 CA-C-N 115.198 -0.91 . . . . 0.0 109.706 -179.109 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 78.7 mtp -66.99 -39.81 87.24 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 120.642 -0.423 . . . . 0.0 110.1 179.856 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 98.9 m . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.483 -179.592 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 71.7 mm-40 . . . . . 0 N--CA 1.456 -0.169 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 65.8 mm-40 -45.46 -46.33 13.57 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.686 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.402 HD23 ' O ' ' A' ' 85' ' ' LEU . 0.9 OUTLIER -63.04 -43.03 99.8 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.303 -0.559 . . . . 0.0 109.963 -179.624 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -62.56 -39.15 92.74 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.416 -0.514 . . . . 0.0 109.973 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 81.0 tt0 -69.63 -50.21 46.39 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.612 -0.435 . . . . 0.0 110.325 179.567 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -54.85 -46.87 74.72 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 120.602 -0.439 . . . . 0.0 110.007 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.418 ' CD1' ' C ' ' A' ' 89' ' ' PHE . 27.6 t80 -56.33 -44.27 79.82 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.861 -0.422 . . . . 0.0 109.861 179.606 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 17.3 mmmt -61.84 -30.7 71.02 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.028 179.592 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 70.8 t -71.35 -46.16 66.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 C-N-CA 120.603 -0.439 . . . . 0.0 111.018 179.37 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -66.36 -33.35 75.52 Favored 'General case' 0 CA--C 1.513 -0.479 0 C-N-CA 120.723 -0.391 . . . . 0.0 110.724 -179.701 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.592 ' O ' ' N ' ' A' ' 96' ' ' GLN . 33.8 t0 -81.52 55.81 2.76 Favored 'General case' 0 C--N 1.321 -0.631 0 C-N-CA 120.699 -0.4 . . . . 0.0 111.629 -179.253 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.625 ' NZ ' ' CE1' ' A' ' 107' ' ' HIS . 97.5 mttt -43.06 -36.26 1.56 Allowed 'General case' 0 CA--C 1.53 0.2 0 C-N-CA 120.584 -0.446 . . . . 0.0 110.084 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . 0.422 ' OD1' ' O ' ' A' ' 95' ' ' ASP . 43.4 t0 -68.59 -19.25 64.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.525 179.738 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . 0.592 ' N ' ' O ' ' A' ' 93' ' ' ASP . 87.0 mt-30 54.27 33.03 17.34 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.654 179.862 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . 0.696 ' ND2' ' H ' ' A' ' 99' ' ' TYR . 0.0 OUTLIER -92.32 6.6 46.24 Favored 'General case' 0 N--CA 1.464 0.227 0 C-N-CA 121.052 -0.259 . . . . 0.0 111.111 -179.54 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . 0.43 ' N ' HD22 ' A' ' 97' ' ' ASN . . . 81.88 -3.89 77.63 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 111.459 -0.656 . . . . 0.0 111.459 179.58 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.696 ' H ' ' ND2' ' A' ' 97' ' ' ASN . 40.3 m-85 -133.77 137.11 44.97 Favored 'General case' 0 N--CA 1.467 0.412 0 O-C-N 122.746 -0.267 . . . . 0.0 110.355 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 54.2 mt -87.52 126.84 41.16 Favored 'Isoleucine or valine' 0 C--O 1.235 0.291 0 N-CA-C 108.745 -0.835 . . . . 0.0 108.745 178.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 30.3 m -94.33 163.1 13.57 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.77 -179.026 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -52.91 -43.88 66.56 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.415 -0.514 . . . . 0.0 109.745 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . 0.403 ' HA ' ' HE ' ' A' ' 106' ' ' ARG . 66.0 m -58.12 -38.51 76.65 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 120.87 -0.332 . . . . 0.0 110.363 179.61 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -76.2 -40.22 52.84 Favored 'General case' 0 N--CA 1.441 -0.916 0 C-N-CA 120.784 -0.367 . . . . 0.0 110.131 179.065 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.575 HD13 ' O ' ' A' ' 105' ' ' LEU . 0.3 OUTLIER -61.42 -47.18 86.93 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-O 121.222 0.534 . . . . 0.0 110.378 -179.453 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . 0.416 ' HG3' ' N ' ' A' ' 107' ' ' HIS . 50.4 ptt85 -64.16 -42.96 96.51 Favored 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 120.487 -0.485 . . . . 0.0 109.86 179.812 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . 0.625 ' CE1' ' NZ ' ' A' ' 94' ' ' LYS . 14.5 t-80 -53.06 -40.65 64.17 Favored 'General case' 0 CA--C 1.521 -0.155 0 N-CA-C 109.557 -0.534 . . . . 0.0 109.557 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 53.2 t -65.11 -40.39 88.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.028 178.72 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 21.7 mmt -61.84 -44.91 95.89 Favored 'General case' 0 C--N 1.332 -0.156 0 C-N-CA 120.41 -0.516 . . . . 0.0 110.337 -179.39 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 2.1 mp -64.22 -44.61 97.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 C-N-CA 120.359 -0.537 . . . . 0.0 109.905 179.283 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -61.8 -34.6 76.2 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.662 -0.496 . . . . 0.0 109.662 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 43.9 mt -76.43 -4.64 43.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.057 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 82.8 17.29 68.22 Favored Glycine 0 CA--C 1.525 0.71 0 N-CA-C 110.706 -0.957 . . . . 0.0 110.706 179.827 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -115.94 133.83 55.61 Favored 'General case' 0 N--CA 1.466 0.345 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 179.682 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.443 ' C ' HD22 ' A' ' 116' ' ' LEU . 12.7 ptpt -132.65 110.29 10.32 Favored 'General case' 0 N--CA 1.47 0.56 0 N-CA-C 110.205 -0.294 . . . . 0.0 110.205 -179.856 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.884 HD22 ' N ' ' A' ' 116' ' ' LEU . 0.9 OUTLIER -108.02 162.38 14.09 Favored 'General case' 0 N--CA 1.468 0.436 0 N-CA-C 109.63 -0.507 . . . . 0.0 109.63 -179.962 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 14.6 p -71.89 163.36 27.97 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -62.29 -38.76 90.6 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.549 -0.461 . . . . 0.0 110.405 -179.647 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -60.99 -33.35 73.11 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 120.77 -0.372 . . . . 0.0 110.702 179.835 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 72.7 mm-40 -73.28 -49.1 29.5 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.567 -0.453 . . . . 0.0 110.477 179.002 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 86.3 t -61.93 -47.81 91.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 C-N-CA 120.587 -0.445 . . . . 0.0 110.076 179.866 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -60.5 -39.31 87.26 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 120.797 -0.361 . . . . 0.0 110.178 179.678 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 69.9 mm-40 -68.68 -41.48 79.18 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.65 -0.42 . . . . 0.0 110.681 179.237 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 59.1 mtt -65.3 -43.14 92.04 Favored 'General case' 0 N--CA 1.445 -0.691 0 C-N-CA 120.709 -0.396 . . . . 0.0 110.769 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . 0.401 HG23 HG23 ' A' ' 136' ' ' VAL . 59.1 mt -64.92 -45.88 93.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 121.309 0.576 . . . . 0.0 109.77 178.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 27.2 mmtp -64.12 -41.68 97.15 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.659 -0.701 . . . . 0.0 110.64 179.524 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 81.3 tt0 -71.84 -33.62 68.61 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.698 179.616 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -83.17 -28.32 29.43 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.859 -179.467 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . 0.435 ' OD1' ' OD1' ' A' ' 133' ' ' ASP . 26.7 t70 -71.5 112.05 7.31 Favored 'General case' 0 CA--C 1.511 -0.55 0 CA-C-O 121.17 0.509 . . . . 0.0 111.789 -179.211 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 8.2 tp -88.8 -24.33 22.63 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.756 -0.657 . . . . 0.0 111.613 179.544 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . 0.438 ' C ' ' H ' ' A' ' 133' ' ' ASP . 50.2 m-20 -82.71 -4.68 58.2 Favored 'General case' 0 C--N 1.331 -0.2 0 C-N-CA 120.979 -0.289 . . . . 0.0 111.756 -178.57 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 67.29 -7.05 1.99 Allowed Glycine 0 CA--C 1.527 0.792 0 C-N-CA 120.421 -0.895 . . . . 0.0 111.386 179.825 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . 0.461 ' OD1' ' N ' ' A' ' 133' ' ' ASP . 30.2 p-10 -65.48 -13.35 58.64 Favored 'General case' 0 C--N 1.333 -0.115 0 C-N-CA 120.645 -0.422 . . . . 0.0 110.157 -179.543 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 80.57 12.39 82.99 Favored Glycine 0 C--N 1.329 0.147 0 N-CA-C 110.513 -1.035 . . . . 0.0 110.513 179.561 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 9.7 mt-30 -112.02 142.69 44.13 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.768 0.318 . . . . 0.0 110.459 -178.845 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . 0.401 HG23 HG23 ' A' ' 125' ' ' ILE . 98.6 t -90.2 105.06 15.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 178.456 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . 0.552 ' ND2' ' CE2' ' A' ' 99' ' ' TYR . 19.9 t-20 -96.84 172.41 7.89 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-O 120.729 0.299 . . . . 0.0 110.233 -179.862 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 30.3 t80 -53.37 -44.52 68.65 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.758 -0.377 . . . . 0.0 110.879 -178.768 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 12.7 tm-20 -60.58 -45.91 92.19 Favored 'General case' 0 C--O 1.223 -0.319 0 C-N-CA 120.815 -0.354 . . . . 0.0 110.946 -179.342 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -71.61 -37.73 70.91 Favored 'General case' 0 C--N 1.317 -0.845 0 C-N-CA 119.936 -0.706 . . . . 0.0 109.882 179.322 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 55.0 t80 -62.69 -54.31 41.18 Favored 'General case' 0 N--CA 1.453 -0.324 0 C-N-CA 120.084 -0.646 . . . . 0.0 110.294 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . 0.532 HG13 ' N ' ' A' ' 143' ' ' LYS . 7.5 p -59.91 -43.94 93.31 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.278 0 CA-C-O 121.357 0.598 . . . . 0.0 109.642 -179.41 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 143' ' ' LYS . . . . . 0.532 ' N ' HG13 ' A' ' 142' ' ' VAL . 20.1 tptm -63.03 -49.27 75.26 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.072 179.872 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 14.2 tmm? -64.52 -37.71 88.49 Favored 'General case' 0 CA--C 1.51 -0.564 0 CA-C-O 121.646 0.736 . . . . 0.0 109.184 178.814 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 35.9 tpp -60.47 -35.3 75.56 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 114.898 -1.046 . . . . 0.0 109.268 -179.785 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 54.1 mmm -74.68 -44.49 49.93 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 120.949 -0.301 . . . . 0.0 110.279 179.104 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 25.3 m . . . . . 0 C--N 1.331 -0.228 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.67 -179.279 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 . . . . . 0 N--CA 1.491 1.581 0 N-CA-C 110.058 -0.349 . . . . 0.0 110.058 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -52.24 -47.83 65.51 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.386 -0.526 . . . . 0.0 109.841 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 39.1 tp10 -63.77 -29.73 70.9 Favored 'General case' 0 N--CA 1.449 -0.487 0 C-N-CA 120.895 -0.322 . . . . 0.0 110.398 -179.743 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 33.0 tp10 -71.32 -67.52 0.51 Allowed 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 178.662 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 50.6 tp10 -46.88 -44.87 19.98 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.694 -0.402 . . . . 0.0 110.269 -179.817 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 78.7 mt -63.34 -44.39 95.0 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 120.379 -0.528 . . . . 0.0 110.514 179.656 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -63.69 -40.57 97.14 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.63 -0.428 . . . . 0.0 110.313 179.348 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -61.82 -57.42 11.92 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 120.557 -0.457 . . . . 0.0 110.227 179.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -51.86 -44.31 63.61 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.517 -0.473 . . . . 0.0 109.823 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 40.7 t80 -56.94 -43.45 81.54 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 110.028 -0.36 . . . . 0.0 110.028 179.215 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 21.3 tptm -60.99 -32.8 72.36 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.649 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 95.7 t -69.86 -46.74 72.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 C-N-CA 120.62 -0.432 . . . . 0.0 110.725 179.542 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -64.98 -34.12 77.68 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.629 -0.428 . . . . 0.0 110.39 179.809 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.473 ' O ' ' N ' ' A' ' 96' ' ' GLN . 30.1 t0 -71.62 59.73 0.32 Allowed 'General case' 0 C--N 1.323 -0.583 0 C-N-CA 120.625 -0.43 . . . . 0.0 110.674 -179.379 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 64.6 tttm -48.16 -45.93 33.96 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.48 -0.488 . . . . 0.0 110.023 -179.229 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . 0.436 ' OD2' ' OE2' ' A' ' 104' ' ' GLU . 5.4 m-20 -72.16 -8.89 57.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.938 0.399 . . . . 0.0 110.199 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . 0.473 ' N ' ' O ' ' A' ' 93' ' ' ASP . 37.7 tt0 52.08 32.37 10.26 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.005 -179.668 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . 0.435 ' OD1' ' O ' ' A' ' 99' ' ' TYR . 46.7 p-10 -89.37 8.67 29.47 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 120.817 -0.353 . . . . 0.0 111.194 -179.104 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . 0.456 ' N ' ' OD2' ' A' ' 93' ' ' ASP . . . 79.15 -6.65 56.01 Favored Glycine 0 CA--C 1.526 0.723 0 N-CA-C 111.468 -0.653 . . . . 0.0 111.468 179.435 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.435 ' O ' ' OD1' ' A' ' 97' ' ' ASN . 34.9 m-85 -130.27 134.61 47.35 Favored 'General case' 0 N--CA 1.467 0.408 0 N-CA-C 110.234 -0.284 . . . . 0.0 110.234 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.407 HG21 HD13 ' A' ' 100' ' ' ILE . 16.0 mt -84.16 128.2 39.09 Favored 'Isoleucine or valine' 0 C--O 1.236 0.373 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 179.027 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 5.3 p -94.01 156.86 16.38 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.554 -179.28 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -52.88 -42.61 65.46 Favored 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 120.381 -0.528 . . . . 0.0 110.047 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . 0.45 ' HA ' ' HE ' ' A' ' 106' ' ' ARG . 50.5 m -59.77 -41.58 91.39 Favored 'General case' 0 C--N 1.331 -0.207 0 C-N-CA 120.772 -0.371 . . . . 0.0 110.669 179.516 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.436 ' OE2' ' OD2' ' A' ' 95' ' ' ASP . 87.8 mt-10 -64.07 -38.96 92.97 Favored 'General case' 0 N--CA 1.443 -0.808 0 C-N-CA 120.67 -0.412 . . . . 0.0 110.354 179.545 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.417 HD23 HD11 ' A' ' 125' ' ' ILE . 26.2 tp -63.97 -43.87 94.45 Favored 'General case' 0 CA--C 1.53 0.191 0 CA-C-O 121.042 0.449 . . . . 0.0 110.214 179.205 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.45 ' HE ' ' HA ' ' A' ' 103' ' ' SER . 84.8 mtm180 -59.23 -49.94 75.92 Favored 'General case' 0 C--O 1.218 -0.581 0 C-N-CA 120.344 -0.542 . . . . 0.0 110.347 -179.691 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 11.8 t-80 -53.68 -40.45 65.96 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 120.696 -0.402 . . . . 0.0 110.065 179.429 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 77.7 t -63.49 -43.54 98.4 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 N-CA-C 109.89 -0.411 . . . . 0.0 109.89 179.144 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 14.5 mmt -57.33 -41.46 80.01 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.483 -0.487 . . . . 0.0 109.973 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.403 HG12 ' O ' ' A' ' 106' ' ' ARG . 11.5 mm -65.29 -42.98 95.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 C-N-CA 120.648 -0.421 . . . . 0.0 109.875 179.218 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 15.1 t30 -59.52 -36.82 76.83 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.152 179.594 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 9.0 mp -77.01 -4.22 43.07 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.927 179.566 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 78.83 19.75 72.34 Favored Glycine 0 CA--C 1.526 0.738 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -117.68 138.54 51.92 Favored 'General case' 0 N--CA 1.466 0.348 0 N-CA-C 109.748 -0.464 . . . . 0.0 109.748 179.59 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -137.44 112.64 9.17 Favored 'General case' 0 N--CA 1.468 0.461 0 N-CA-C 110.192 -0.299 . . . . 0.0 110.192 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 48.5 mt -102.65 163.16 12.38 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 109.646 -0.501 . . . . 0.0 109.646 179.735 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 1.2 m -68.54 162.14 26.37 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.126 -0.63 . . . . 0.0 109.632 -179.755 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 91.0 m-20 -60.3 -38.62 84.2 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.376 -0.53 . . . . 0.0 110.23 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -65.6 -31.89 73.17 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.754 -0.378 . . . . 0.0 110.497 179.325 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . 0.546 ' OE1' ' N ' ' A' ' 120' ' ' GLU . 0.2 OUTLIER -70.51 -49.29 49.82 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.471 -0.492 . . . . 0.0 110.259 179.26 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 85.7 t -63.54 -47.29 92.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 C-N-CA 120.521 -0.472 . . . . 0.0 110.216 179.735 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 44.2 tp10 -56.54 -39.05 72.74 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.796 -0.362 . . . . 0.0 110.41 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 81.8 mt-30 -67.24 -37.95 84.39 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 120.703 -0.399 . . . . 0.0 110.737 179.015 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 39.2 ttm -63.12 -44.18 96.34 Favored 'General case' 0 N--CA 1.45 -0.461 0 C-N-CA 120.78 -0.368 . . . . 0.0 110.417 -179.651 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . 0.417 HD11 HD23 ' A' ' 105' ' ' LEU . 48.1 mm -61.54 -48.72 87.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 C-N-CA 120.585 -0.446 . . . . 0.0 110.048 179.189 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 48.7 mtmt -64.52 -44.94 89.29 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.239 179.548 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 81.2 tt0 -66.49 -38.43 87.24 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.14 -179.767 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -75.87 -29.9 58.69 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.441 -179.069 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . 0.545 ' OD2' ' N ' ' A' ' 133' ' ' ASP . 33.1 t0 -75.81 115.21 15.28 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.186 0.517 . . . . 0.0 111.897 -178.834 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 53.7 tp -85.32 -27.27 26.03 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.379 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . 0.455 ' OD1' ' OD1' ' A' ' 129' ' ' ASP . 44.1 p30 -100.29 12.26 37.51 Favored 'General case' 0 N--CA 1.465 0.275 0 C-N-CA 121.156 -0.217 . . . . 0.0 111.378 -178.784 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 44.94 26.22 1.14 Allowed Glycine 0 CA--C 1.529 0.957 0 C-N-CA 120.361 -0.923 . . . . 0.0 111.345 179.674 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . 0.545 ' N ' ' OD2' ' A' ' 129' ' ' ASP . 19.0 p-10 -72.03 -16.65 62.05 Favored 'General case' 0 N--CA 1.462 0.155 0 C-N-CA 120.713 -0.395 . . . . 0.0 110.472 179.593 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 94.0 -10.59 71.83 Favored Glycine 0 C--O 1.229 -0.21 0 N-CA-C 110.382 -1.087 . . . . 0.0 110.382 179.643 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 22.7 mt-30 -117.69 138.88 51.7 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-O 120.676 0.274 . . . . 0.0 110.682 -178.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 75.3 t -81.86 116.2 25.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 N-CA-C 108.538 -0.912 . . . . 0.0 108.538 178.639 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 18.1 t-20 -93.02 165.43 12.86 Favored 'General case' 0 N--CA 1.469 0.504 0 N-CA-C 109.943 -0.391 . . . . 0.0 109.943 179.653 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 85.1 t80 -49.52 -48.75 47.93 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.532 -0.467 . . . . 0.0 111.017 -178.767 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . 0.436 ' CG ' ' N ' ' A' ' 140' ' ' GLU . 6.5 pt-20 -58.01 -41.48 83.17 Favored 'General case' 0 C--O 1.225 -0.223 0 CA-C-O 121.026 0.441 . . . . 0.0 110.972 -179.229 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . 0.436 ' N ' ' CG ' ' A' ' 139' ' ' GLU . 82.8 mt-10 -70.13 -39.23 75.54 Favored 'General case' 0 C--N 1.321 -0.636 0 C-N-CA 120.052 -0.659 . . . . 0.0 109.82 179.736 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 58.6 t80 -62.78 -55.79 23.37 Favored 'General case' 0 N--CA 1.452 -0.335 0 C-N-CA 120.184 -0.606 . . . . 0.0 110.354 -179.646 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . 0.51 HG13 ' N ' ' A' ' 143' ' ' LYS . 14.8 p -57.59 -43.32 83.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 -179.755 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 143' ' ' LYS . . . . . 0.51 ' N ' HG13 ' A' ' 142' ' ' VAL . 55.7 tttp -60.79 -49.51 77.18 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.889 -0.596 . . . . 0.0 109.794 179.109 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 56.8 ttp -62.24 -39.07 91.64 Favored 'General case' 0 CA--C 1.514 -0.406 0 CA-C-O 121.439 0.638 . . . . 0.0 109.333 178.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . 0.431 ' O ' ' N ' ' A' ' 149' ' ' ARG . 39.4 ttm -64.88 -39.07 92.96 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 115.155 -0.929 . . . . 0.0 109.978 179.787 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 87.2 mtp -63.72 -37.23 86.59 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 110.026 -0.361 . . . . 0.0 110.026 179.443 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 98.2 m -61.41 -71.42 0.15 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.475 -179.791 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 96.8 t -65.43 -44.77 94.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.555 179.702 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 149' ' ' ARG . . . . . 0.431 ' N ' ' O ' ' A' ' 145' ' ' MET . 58.0 ttp180 . . . . . 0 C--O 1.218 -0.557 0 CA-C-O 118.054 -0.974 . . . . 0.0 110.306 179.63 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 221' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 234' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 85.9 m-20 . . . . . 0 N--CA 1.493 1.706 0 N-CA-C 109.487 -0.56 . . . . 0.0 109.487 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -52.94 -48.28 67.43 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.414 -0.515 . . . . 0.0 109.83 -179.782 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 44.4 tp10 -63.55 -30.55 71.65 Favored 'General case' 0 N--CA 1.45 -0.466 0 C-N-CA 120.888 -0.325 . . . . 0.0 110.299 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 14.1 tm-20 -66.34 -69.12 0.32 Allowed 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.022 -0.733 . . . . 0.0 109.022 178.763 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -45.45 -44.99 12.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.493 -179.747 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 80.5 mt -61.88 -44.9 95.87 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 120.36 -0.536 . . . . 0.0 110.44 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.411 ' HZ3' ' HB3' ' A' ' 86' ' ' LYS . 0.5 OUTLIER -63.73 -42.31 97.92 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 120.387 -0.525 . . . . 0.0 110.452 179.402 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 14.0 tm-20 -64.96 -55.03 21.51 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 120.463 -0.495 . . . . 0.0 110.22 179.772 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -51.69 -44.75 63.23 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 120.45 -0.5 . . . . 0.0 109.685 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 44.7 t80 -56.15 -46.28 79.33 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.738 -0.385 . . . . 0.0 110.158 179.622 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -58.42 -32.91 69.1 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.522 -0.308 . . . . 0.0 110.792 179.224 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 91.6 t -69.15 -47.32 75.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 C-N-CA 120.589 -0.445 . . . . 0.0 110.868 179.226 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -65.14 -34.77 79.18 Favored 'General case' 0 CA--C 1.517 -0.308 0 C-N-CA 120.726 -0.39 . . . . 0.0 110.367 179.596 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.443 ' OD2' ' N ' ' A' ' 98' ' ' GLY . 43.1 t0 -73.03 61.94 0.6 Allowed 'General case' 0 C--N 1.323 -0.567 0 C-N-CA 120.688 -0.405 . . . . 0.0 110.476 -179.353 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -50.61 -46.45 58.05 Favored 'General case' 0 C--N 1.333 -0.145 0 C-N-CA 120.472 -0.491 . . . . 0.0 110.154 -179.275 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -70.12 -5.56 27.9 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.931 0.396 . . . . 0.0 110.194 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 43.7 tp60 49.25 26.11 1.43 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.238 -179.522 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 39.2 p-10 -80.69 2.61 25.2 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 120.763 -0.375 . . . . 0.0 111.187 -179.247 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . 0.443 ' N ' ' OD2' ' A' ' 93' ' ' ASP . . . 84.88 -6.4 78.77 Favored Glycine 0 CA--C 1.527 0.807 0 N-CA-C 111.252 -0.739 . . . . 0.0 111.252 179.628 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 68.7 m-85 -132.05 136.71 47.41 Favored 'General case' 0 N--CA 1.468 0.436 0 N-CA-C 110.235 -0.283 . . . . 0.0 110.235 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 20.9 mt -82.68 123.67 38.66 Favored 'Isoleucine or valine' 0 C--O 1.235 0.317 0 N-CA-C 108.844 -0.798 . . . . 0.0 108.844 179.175 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 9.2 p -89.02 155.08 19.7 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.715 -179.229 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -53.89 -42.88 69.17 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.374 -0.531 . . . . 0.0 109.958 179.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 49.7 m -59.2 -41.88 89.61 Favored 'General case' 0 C--O 1.234 0.283 0 C-N-CA 120.754 -0.378 . . . . 0.0 110.533 179.677 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.408 ' O ' HG23 ' A' ' 108' ' ' VAL . 91.7 mt-10 -64.7 -37.83 88.91 Favored 'General case' 0 N--CA 1.443 -0.783 0 C-N-CA 120.667 -0.413 . . . . 0.0 110.436 179.274 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 32.6 tp -62.41 -42.3 99.33 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-O 120.804 0.335 . . . . 0.0 110.155 179.248 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 96.3 mtt-85 -61.4 -46.05 91.79 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.512 -0.475 . . . . 0.0 109.907 -179.619 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 11.8 t-160 -57.95 -42.84 85.78 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 120.499 -0.48 . . . . 0.0 109.758 179.386 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.408 HG23 ' O ' ' A' ' 104' ' ' GLU . 79.4 t -62.36 -46.62 96.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 C-N-CA 120.67 -0.412 . . . . 0.0 110.041 179.332 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . 0.705 ' SD ' HD23 ' A' ' 116' ' ' LEU . 43.6 mtt -58.56 -41.77 86.39 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.586 -0.446 . . . . 0.0 110.028 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 97.2 mt -64.78 -43.42 96.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 C-N-CA 120.575 -0.45 . . . . 0.0 109.922 178.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 24.6 t-20 -60.83 -35.54 76.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.172 179.703 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 8.6 mp -76.32 -3.29 35.95 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.087 179.517 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 80.43 15.94 77.13 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -112.93 132.02 55.5 Favored 'General case' 0 N--CA 1.467 0.385 0 N-CA-C 109.57 -0.53 . . . . 0.0 109.57 179.661 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 15.9 pttp -130.46 107.49 9.27 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-O 120.871 0.367 . . . . 0.0 110.457 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.871 HD22 ' N ' ' A' ' 116' ' ' LEU . 0.8 OUTLIER -101.32 157.44 16.79 Favored 'General case' 0 CA--C 1.516 -0.349 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . 0.4 HG22 ' N ' ' A' ' 118' ' ' ASP . 11.6 m -65.02 160.34 21.12 Favored 'General case' 0 N--CA 1.453 -0.301 0 N-CA-C 109.408 -0.589 . . . . 0.0 109.408 -179.693 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . 0.4 ' N ' HG22 ' A' ' 117' ' ' THR . 93.4 m-20 -61.09 -38.99 88.24 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.535 -0.466 . . . . 0.0 110.323 -179.588 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -61.45 -32.46 72.45 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.705 -0.398 . . . . 0.0 110.461 179.773 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -72.54 -48.86 36.87 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 120.544 -0.463 . . . . 0.0 110.463 179.087 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 91.9 t -62.17 -47.24 94.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 C-N-CA 120.578 -0.449 . . . . 0.0 109.914 179.677 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 69.2 mm-40 -58.39 -38.45 77.35 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.715 -0.394 . . . . 0.0 110.494 179.578 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 19.8 mt-30 -69.48 -39.4 77.69 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 120.667 -0.413 . . . . 0.0 110.679 178.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 58.2 ttm -61.41 -44.44 97.13 Favored 'General case' 0 N--CA 1.449 -0.511 0 C-N-CA 120.735 -0.386 . . . . 0.0 110.413 -179.691 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 43.4 mm -62.78 -47.35 93.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 N-CA-C 109.689 -0.485 . . . . 0.0 109.689 179.841 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 53.2 mtmt -65.15 -44.0 89.99 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.923 179.077 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 38.9 tp10 -67.17 -37.15 83.26 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.64 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -76.26 -28.94 57.27 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.203 -179.53 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 87.2 m-20 -77.21 116.3 17.72 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.289 0.566 . . . . 0.0 111.417 -179.221 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 5.9 tt -82.17 -26.31 33.52 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.408 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 40.3 p30 -108.17 15.3 24.3 Favored 'General case' 0 N--CA 1.467 0.394 0 N-CA-C 111.629 0.233 . . . . 0.0 111.629 -179.193 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 39.75 52.44 3.15 Favored Glycine 0 CA--C 1.529 0.919 0 C-N-CA 120.672 -0.775 . . . . 0.0 111.347 179.77 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . 0.544 ' OD1' ' N ' ' A' ' 134' ' ' GLY . 43.7 p-10 -96.41 -17.77 20.37 Favored 'General case' 0 N--CA 1.467 0.38 0 O-C-N 122.563 -0.375 . . . . 0.0 110.242 -179.891 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . 0.544 ' N ' ' OD1' ' A' ' 133' ' ' ASP . . . 97.66 -12.14 64.57 Favored Glycine 0 C--N 1.33 0.224 0 N-CA-C 110.382 -1.087 . . . . 0.0 110.382 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . 0.598 ' O ' 'CA ' ' A' ' 234' ' ' ' CA' . 5.2 mt-30 -115.91 131.16 57.02 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-O 120.735 0.302 . . . . 0.0 110.522 -178.674 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 36.6 t -81.69 119.21 30.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 N-CA-C 108.522 -0.918 . . . . 0.0 108.522 178.254 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 54.4 t30 -94.65 168.74 10.65 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-O 120.75 0.31 . . . . 0.0 110.169 179.368 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . 0.431 ' CE2' HG21 ' A' ' 142' ' ' VAL . 74.3 t80 -50.67 -46.87 58.79 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.717 -0.393 . . . . 0.0 110.996 -178.638 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 42.9 tp10 -58.81 -46.0 88.65 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.753 -0.379 . . . . 0.0 111.024 -179.474 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 66.6 mt-10 -66.13 -39.28 89.74 Favored 'General case' 0 N--CA 1.451 -0.417 0 C-N-CA 120.166 -0.614 . . . . 0.0 110.272 179.737 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 53.2 t80 -63.15 -49.8 72.89 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 178.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . 0.431 HG21 ' CE2' ' A' ' 138' ' ' TYR . 39.8 t -59.36 -46.88 92.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 N-CA-C 108.987 -0.745 . . . . 0.0 108.987 179.531 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -61.91 -49.19 77.18 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.737 179.61 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 14.2 tmm? -62.17 -39.72 93.58 Favored 'General case' 0 CA--C 1.512 -0.491 0 CA-C-O 121.544 0.687 . . . . 0.0 109.478 178.66 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 31.0 ttm -62.19 -38.76 90.32 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 115.124 -0.944 . . . . 0.0 109.871 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 146' ' ' MET . . . . . 0.442 ' C ' ' N ' ' A' ' 148' ' ' VAL . 56.6 mtm -64.53 -39.96 94.73 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 120.755 -0.378 . . . . 0.0 110.12 179.184 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 25.8 m -47.99 -17.26 0.11 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.299 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 148' ' ' VAL . . . . . 0.442 ' N ' ' C ' ' A' ' 146' ' ' MET . 21.8 t -78.94 -2.09 4.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.545 179.825 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 95.8 mtt-85 . . . . . 0 C--O 1.219 -0.502 0 CA-C-O 118.04 -0.981 . . . . 0.0 110.14 179.665 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 221' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 234' ' ' ' CA' . . . . . 0.598 'CA ' ' O ' ' A' ' 135' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 24.3 t70 . . . . . 0 N--CA 1.49 1.554 0 N-CA-C 109.941 -0.392 . . . . 0.0 109.941 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -49.38 -46.73 47.66 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 -179.659 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -63.74 -32.8 74.41 Favored 'General case' 0 N--CA 1.451 -0.411 0 C-N-CA 120.703 -0.399 . . . . 0.0 110.256 -179.639 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 82.3 tt0 -69.38 -68.27 0.42 Allowed 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 108.978 -0.749 . . . . 0.0 108.978 179.244 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -46.45 -44.02 17.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.217 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.535 HD23 ' OH ' ' A' ' 138' ' ' TYR . 51.2 tp -62.92 -44.72 95.31 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.291 -0.563 . . . . 0.0 110.199 179.837 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 89.2 tttt -60.9 -37.65 82.97 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.721 -0.392 . . . . 0.0 110.109 -179.48 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -66.99 -51.84 50.05 Favored 'General case' 0 N--CA 1.451 -0.419 0 C-N-CA 120.704 -0.398 . . . . 0.0 110.238 179.397 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -52.88 -46.28 67.85 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 120.475 -0.49 . . . . 0.0 109.899 -179.491 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 69.8 t80 -56.32 -44.81 80.31 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 109.921 -0.4 . . . . 0.0 109.921 179.662 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 16.5 mmmt -60.14 -34.28 73.32 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.819 179.512 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 84.7 t -68.91 -42.68 82.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.769 179.312 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.458 ' CZ ' HG11 ' A' ' 108' ' ' VAL . 5.0 m-85 -61.6 -35.43 77.84 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.58 -179.667 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.59 ' OD2' ' N ' ' A' ' 98' ' ' GLY . 6.9 t0 -72.08 72.29 0.87 Allowed 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.136 0.493 . . . . 0.0 110.848 -178.896 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 25.2 mtpp -50.95 -48.52 60.96 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 120.125 -0.63 . . . . 0.0 110.407 -179.354 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . 0.481 ' OD1' ' N ' ' A' ' 97' ' ' ASN . 7.7 p30 -79.37 -0.5 32.99 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.819 0.342 . . . . 0.0 110.512 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . 0.402 ' CD ' ' O ' ' A' ' 96' ' ' GLN . 0.4 OUTLIER 50.44 37.64 16.18 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.556 179.9 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . 0.481 ' N ' ' OD1' ' A' ' 95' ' ' ASP . 52.0 p-10 -85.06 -2.66 58.24 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.772 -0.371 . . . . 0.0 111.28 -179.208 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . 0.59 ' N ' ' OD2' ' A' ' 93' ' ' ASP . . . 90.53 -4.53 82.31 Favored Glycine 0 CA--C 1.53 1.028 0 N-CA-C 111.583 -0.607 . . . . 0.0 111.583 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 32.0 m-85 -128.67 172.26 11.4 Favored 'General case' 0 N--CA 1.467 0.419 0 N-CA-C 109.452 -0.574 . . . . 0.0 109.452 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 21.3 mt -120.43 130.37 74.51 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.48 0 N-CA-C 108.794 -0.817 . . . . 0.0 108.794 178.739 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 39.7 t -107.11 154.88 20.5 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.58 -179.586 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -52.22 -39.5 60.34 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 -179.688 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . 0.428 ' O ' ' HG2' ' A' ' 106' ' ' ARG . 38.9 t -60.88 -43.08 98.93 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-O 121.056 0.455 . . . . 0.0 110.137 179.627 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.508 ' O ' HG23 ' A' ' 108' ' ' VAL . 92.8 mt-10 -71.23 -41.72 69.82 Favored 'General case' 0 N--CA 1.442 -0.85 0 C-N-CA 120.507 -0.477 . . . . 0.0 110.625 179.379 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 46.4 tp -65.7 -45.32 83.2 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-O 120.77 0.319 . . . . 0.0 111.47 179.631 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.489 ' CG ' ' N ' ' A' ' 107' ' ' HIS . 11.5 ptm180 -64.87 -46.88 79.96 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.224 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . 0.489 ' N ' ' CG ' ' A' ' 106' ' ' ARG . 13.4 t-80 -57.58 -43.25 84.46 Favored 'General case' 0 CA--C 1.517 -0.294 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 -179.565 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.508 HG23 ' O ' ' A' ' 104' ' ' GLU . 72.5 t -65.55 -43.11 94.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.979 178.838 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 3.3 mmt -60.62 -39.88 89.83 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.688 -0.405 . . . . 0.0 110.211 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 98.1 mt -65.29 -44.11 94.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 N-CA-C 109.888 -0.412 . . . . 0.0 109.888 179.101 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 13.9 t30 -60.34 -26.53 66.65 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.084 -0.507 . . . . 0.0 109.937 179.724 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.465 HD13 ' O ' ' A' ' 108' ' ' VAL . 8.0 mp -87.42 0.82 54.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.105 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 84.92 9.98 79.69 Favored Glycine 0 CA--C 1.524 0.597 0 N-CA-C 110.905 -0.878 . . . . 0.0 110.905 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -111.47 123.68 50.71 Favored 'General case' 0 N--CA 1.465 0.305 0 N-CA-C 109.856 -0.424 . . . . 0.0 109.856 179.62 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 16.3 ptmt -136.44 112.3 9.54 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 121.058 0.456 . . . . 0.0 110.37 -179.496 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 25.2 mt -101.04 157.57 16.66 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.449 -0.575 . . . . 0.0 109.449 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . 0.474 ' N ' ' OE1' ' A' ' 120' ' ' GLU . 11.6 m -64.15 162.8 13.74 Favored 'General case' 0 N--CA 1.453 -0.304 0 N-CA-C 109.117 -0.698 . . . . 0.0 109.117 -179.593 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . 0.423 ' N ' HG22 ' A' ' 117' ' ' THR . 97.8 m-20 -61.33 -39.31 90.07 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 120.701 -0.4 . . . . 0.0 110.153 -179.407 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -65.29 -31.56 72.76 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 120.764 -0.374 . . . . 0.0 110.487 179.671 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . 0.474 ' OE1' ' N ' ' A' ' 117' ' ' THR . 69.7 mt-10 -70.04 -47.2 62.99 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.644 -0.422 . . . . 0.0 110.305 178.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 69.0 t -64.32 -45.73 95.22 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 C-N-CA 120.665 -0.414 . . . . 0.0 109.994 179.557 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 34.7 tp10 -57.42 -37.7 73.2 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 22.8 mt-30 -71.26 -40.71 70.79 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.662 179.039 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 34.1 ttm -62.3 -46.46 88.66 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-O 120.776 0.322 . . . . 0.0 110.443 -179.699 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 7.5 mm -62.89 -48.16 89.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 179.743 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 29.2 mmtp -64.62 -43.32 94.13 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.969 179.656 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 80.8 tt0 -69.56 -37.07 76.87 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.74 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -78.11 -29.9 49.19 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.594 -179.343 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . 0.529 ' OD2' ' N ' ' A' ' 133' ' ' ASP . 67.1 t0 -77.42 119.93 21.71 Favored 'General case' 0 CA--C 1.51 -0.568 0 CA-C-O 121.255 0.55 . . . . 0.0 111.593 -179.423 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 7.1 tp -84.96 -21.07 29.71 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.42 -0.809 . . . . 0.0 111.309 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . 0.403 ' OD1' ' C ' ' A' ' 131' ' ' ASP . 19.6 p30 -110.62 12.19 22.72 Favored 'General case' 0 N--CA 1.47 0.565 0 N-CA-C 111.568 0.21 . . . . 0.0 111.568 -179.009 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 41.19 30.31 0.43 Allowed Glycine 0 CA--C 1.528 0.872 0 N-CA-C 111.191 -0.763 . . . . 0.0 111.191 179.73 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . 0.529 ' N ' ' OD2' ' A' ' 129' ' ' ASP . 43.0 p-10 -72.01 -18.67 61.95 Favored 'General case' 0 C--O 1.231 0.125 0 C-N-CA 120.792 -0.363 . . . . 0.0 110.413 -179.792 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 98.12 -7.66 62.5 Favored Glycine 0 C--N 1.332 0.332 0 N-CA-C 110.373 -1.091 . . . . 0.0 110.373 179.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -120.97 135.12 55.28 Favored 'General case' 0 N--CA 1.454 -0.269 0 N-CA-C 110.171 -0.307 . . . . 0.0 110.171 -178.37 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 99.2 t -84.27 118.51 31.66 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 N-CA-C 108.613 -0.884 . . . . 0.0 108.613 178.264 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 49.4 p-10 -93.86 170.94 9.18 Favored 'General case' 0 N--CA 1.467 0.384 0 N-CA-C 109.862 -0.422 . . . . 0.0 109.862 179.389 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . 0.535 ' OH ' HD23 ' A' ' 85' ' ' LEU . 60.7 t80 -54.26 -45.1 72.33 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.951 -0.3 . . . . 0.0 111.16 -178.529 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 41.0 tp10 -58.39 -45.06 89.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.836 0.351 . . . . 0.0 110.654 -179.415 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -72.39 -35.85 68.52 Favored 'General case' 0 N--CA 1.446 -0.641 0 C-N-CA 119.841 -0.743 . . . . 0.0 109.537 179.814 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 64.5 t80 -62.83 -55.0 30.27 Favored 'General case' 0 C--O 1.232 0.16 0 C-N-CA 120.494 -0.482 . . . . 0.0 110.371 179.73 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . 0.518 HG13 ' N ' ' A' ' 143' ' ' LYS . 11.6 p -59.37 -43.24 89.78 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.139 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 143' ' ' LYS . . . . . 0.518 ' N ' HG13 ' A' ' 142' ' ' VAL . 3.6 ttmp? -61.09 -49.85 75.64 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.857 -0.61 . . . . 0.0 109.96 179.393 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 56.8 ttp -60.62 -39.41 88.1 Favored 'General case' 0 CA--C 1.512 -0.512 0 CA-C-N 115.639 -0.709 . . . . 0.0 109.293 179.42 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . 0.404 ' O ' ' C ' ' A' ' 149' ' ' ARG . 47.5 ttm -66.12 -39.99 90.36 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 114.831 -1.077 . . . . 0.0 110.118 179.158 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 11.6 mmt -61.29 -37.49 83.36 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 26.5 m -58.32 -71.73 0.11 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.544 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 71.8 t -60.83 -43.11 94.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.598 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 149' ' ' ARG . . . . . 0.404 ' C ' ' O ' ' A' ' 145' ' ' MET . 13.6 ptm180 . . . . . 0 C--O 1.22 -0.452 0 CA-C-O 117.883 -1.055 . . . . 0.0 111.11 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 221' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 234' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 46.2 t0 . . . . . 0 N--CA 1.491 1.592 0 N-CA-C 109.691 -0.485 . . . . 0.0 109.691 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -51.3 -47.12 62.67 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 120.434 -0.506 . . . . 0.0 109.739 -179.723 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.527 ' OE1' ' NZ ' ' A' ' 86' ' ' LYS . 3.0 tm-20 -64.72 -34.33 78.07 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.588 -179.757 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -62.73 -70.7 0.19 Allowed 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 179.149 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 76.1 mm-40 -43.36 -38.11 2.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.68 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 37.8 mt -61.81 -43.85 98.03 Favored 'General case' 0 C--O 1.231 0.128 0 C-N-CA 120.424 -0.51 . . . . 0.0 110.232 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.527 ' NZ ' ' OE1' ' A' ' 82' ' ' GLU . 48.0 mttp -61.8 -41.4 97.71 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.424 -0.51 . . . . 0.0 110.15 179.228 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 13.8 tm-20 -64.75 -53.87 40.25 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 120.491 -0.483 . . . . 0.0 110.139 179.721 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -55.09 -49.35 71.9 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.911 0.386 . . . . 0.0 109.968 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 33.3 t80 -58.0 -41.87 83.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.042 179.711 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.405 ' HG3' ' HZ2' ' A' ' 90' ' ' LYS . 63.1 tttp -60.62 -33.68 73.12 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.675 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 70.2 t -68.01 -47.11 80.25 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.24 0 C-N-CA 120.746 -0.381 . . . . 0.0 110.77 179.262 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -68.51 -34.67 76.29 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.39 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 35.8 t0 -71.78 60.41 0.36 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.5 -179.42 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 17.1 tptp -51.39 -46.47 62.86 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.527 -0.469 . . . . 0.0 110.048 -179.003 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . 0.443 ' OD2' ' OE2' ' A' ' 104' ' ' GLU . 5.5 m-20 -70.48 -7.78 46.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.891 0.377 . . . . 0.0 110.031 -179.605 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 3.8 tp-100 49.93 32.75 5.84 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.102 -179.823 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 49.4 p-10 -90.55 4.73 50.36 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 116.506 -0.315 . . . . 0.0 111.321 -179.191 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 82.77 -7.53 65.54 Favored Glycine 0 CA--C 1.528 0.855 0 N-CA-C 111.484 -0.646 . . . . 0.0 111.484 179.426 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 63.3 m-85 -128.94 134.04 48.07 Favored 'General case' 0 N--CA 1.468 0.454 0 N-CA-C 110.425 -0.213 . . . . 0.0 110.425 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 31.1 mt -84.33 129.85 36.94 Favored 'Isoleucine or valine' 0 C--O 1.237 0.43 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 178.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 4.0 m -97.92 157.07 16.31 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.56 -179.499 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -52.11 -41.54 62.54 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.692 -0.485 . . . . 0.0 109.692 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . 0.407 ' HA ' HH11 ' A' ' 106' ' ' ARG . 78.0 p -59.04 -41.77 88.66 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.695 -0.402 . . . . 0.0 110.271 179.81 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.443 ' OE2' ' OD2' ' A' ' 95' ' ' ASP . 87.9 mt-10 -68.5 -39.53 81.25 Favored 'General case' 0 N--CA 1.444 -0.729 0 C-N-CA 120.832 -0.347 . . . . 0.0 111.001 179.338 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.565 HD13 ' O ' ' A' ' 105' ' ' LEU . 0.2 OUTLIER -61.37 -42.56 98.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.028 0.442 . . . . 0.0 109.963 -179.448 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.435 ' HG2' ' N ' ' A' ' 107' ' ' HIS . 9.3 ptt-85 -64.06 -44.64 91.81 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 120.387 -0.525 . . . . 0.0 109.694 179.357 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . 0.435 ' N ' ' HG2' ' A' ' 106' ' ' ARG . 29.6 t-80 -52.42 -40.9 62.73 Favored 'General case' 0 CA--C 1.514 -0.43 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 -178.865 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 85.0 t -66.14 -40.75 87.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.154 178.581 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 17.0 mmt -59.89 -45.33 92.88 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 120.574 -0.45 . . . . 0.0 110.633 -178.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.434 ' N ' HD12 ' A' ' 110' ' ' ILE . 1.4 mp -65.97 -43.02 92.87 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.318 0 N-CA-C 109.886 -0.413 . . . . 0.0 109.886 178.597 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . 0.433 ' OD1' ' O ' ' A' ' 111' ' ' ASN . 53.9 t-20 -61.62 -37.53 84.28 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.431 -179.532 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -78.07 -2.75 38.83 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.122 179.829 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 85.19 17.29 63.03 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 179.629 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -112.61 128.71 56.45 Favored 'General case' 0 N--CA 1.464 0.269 0 N-CA-C 109.916 -0.402 . . . . 0.0 109.916 179.389 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 32.0 mtpt -132.15 109.8 10.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.907 0.384 . . . . 0.0 110.413 -179.617 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 72.8 mt -118.58 165.4 13.99 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.703 179.553 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . 0.419 ' H ' HG22 ' A' ' 117' ' ' THR . 0.0 OUTLIER -73.73 164.83 26.13 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.618 -0.512 . . . . 0.0 109.618 179.595 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 55.2 t0 -62.41 -37.36 85.51 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.597 -0.441 . . . . 0.0 110.614 -179.585 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -56.26 -39.48 72.68 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.887 -0.325 . . . . 0.0 110.671 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 62.0 mm-40 -71.82 -48.98 42.54 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.64 -0.424 . . . . 0.0 110.244 178.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 76.5 t -64.2 -46.39 93.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 C-N-CA 120.647 -0.421 . . . . 0.0 110.051 179.759 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 43.4 tp10 -60.08 -37.59 80.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.072 -0.513 . . . . 0.0 109.956 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 60.0 tt0 -62.01 -45.56 93.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.217 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 74.8 mtm -65.21 -39.55 92.93 Favored 'General case' 0 N--CA 1.446 -0.659 0 C-N-CA 120.964 -0.294 . . . . 0.0 110.269 179.714 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 5.6 mm -62.9 -45.62 98.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -67.41 -41.98 83.99 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.434 -0.803 . . . . 0.0 111.109 178.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 12.6 tm-20 -70.05 -38.87 75.93 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.043 -179.85 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -70.39 -29.36 65.98 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.505 -0.77 . . . . 0.0 111.283 -178.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . 0.527 ' OD2' ' N ' ' A' ' 133' ' ' ASP . 23.2 t0 -78.64 116.49 19.04 Favored 'General case' 0 CA--C 1.51 -0.589 0 CA-C-O 121.429 0.633 . . . . 0.0 111.605 -178.852 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 6.1 tp -86.17 -24.59 26.09 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 114.975 -1.011 . . . . 0.0 111.586 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 42.8 p30 -103.84 11.21 35.97 Favored 'General case' 0 N--CA 1.47 0.529 0 N-CA-C 111.601 0.223 . . . . 0.0 111.601 -179.116 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . 0.408 ' CA ' ' OD2' ' A' ' 129' ' ' ASP . . . 44.03 30.25 1.72 Allowed Glycine 0 CA--C 1.528 0.895 0 C-N-CA 120.803 -0.713 . . . . 0.0 111.332 179.429 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . 0.527 ' N ' ' OD2' ' A' ' 129' ' ' ASP . 15.2 p-10 -74.33 -17.58 60.82 Favored 'General case' 0 C--N 1.333 -0.119 0 CA-C-O 120.946 0.403 . . . . 0.0 110.748 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 97.16 -7.79 64.54 Favored Glycine 0 C--N 1.332 0.319 0 N-CA-C 110.213 -1.155 . . . . 0.0 110.213 179.692 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . 0.415 ' H ' ' CG ' ' A' ' 133' ' ' ASP . 1.2 mt-30 -122.86 139.31 54.16 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-O 120.843 0.354 . . . . 0.0 110.302 -178.383 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 88.6 t -81.85 121.36 35.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 N-CA-C 108.471 -0.937 . . . . 0.0 108.471 178.802 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 64.3 t30 -93.89 164.45 13.1 Favored 'General case' 0 N--CA 1.465 0.308 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 179.301 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 73.6 t80 -46.09 -51.27 14.15 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.486 -0.325 . . . . 0.0 111.061 -178.793 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 -59.78 -42.04 92.45 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.879 -0.328 . . . . 0.0 110.743 -179.689 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 75.3 mt-10 -66.14 -42.18 89.42 Favored 'General case' 0 N--CA 1.45 -0.458 0 C-N-CA 120.395 -0.522 . . . . 0.0 110.09 179.705 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 55.5 t80 -61.88 -50.13 73.45 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 178.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 55.5 t -59.37 -46.21 92.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.813 -0.631 . . . . 0.0 109.347 179.783 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 65.3 tttm -60.82 -48.4 81.97 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.755 -0.657 . . . . 0.0 109.815 179.696 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 47.9 ttp -62.86 -40.6 97.96 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.616 -0.72 . . . . 0.0 109.505 178.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . 0.736 ' O ' HG22 ' A' ' 148' ' ' VAL . 36.6 ttm -62.12 -39.19 91.7 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 114.607 -1.178 . . . . 0.0 109.798 179.635 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 146' ' ' MET . . . . . 0.529 ' O ' ' N ' ' A' ' 148' ' ' VAL . 57.1 mmm -64.79 -38.03 89.6 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.192 179.668 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 14.6 m -44.46 -14.57 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.967 0.413 . . . . 0.0 110.983 -179.84 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 148' ' ' VAL . . . . . 0.736 HG22 ' O ' ' A' ' 145' ' ' MET . 4.6 m -80.67 -8.89 11.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.47 -179.593 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 72.7 ttp85 . . . . . 0 C--O 1.22 -0.454 0 CA-C-O 118.001 -0.999 . . . . 0.0 110.396 -179.83 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 221' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 234' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.494 ' CA ' ' OE1' ' A' ' 83' ' ' GLU . 98.6 m-20 . . . . . 0 N--CA 1.49 1.564 0 N-CA-C 110.098 -0.334 . . . . 0.0 110.098 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -55.83 -49.26 73.75 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 120.309 -0.556 . . . . 0.0 109.969 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -60.81 -30.16 69.91 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 120.658 -0.417 . . . . 0.0 110.77 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.528 ' OE1' ' N ' ' A' ' 83' ' ' GLU . 54.5 mp0 -71.9 -66.56 0.62 Allowed 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.241 -0.651 . . . . 0.0 109.241 178.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 75.8 mt-10 -46.18 -47.76 17.65 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 120.62 -0.432 . . . . 0.0 110.349 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.571 HD13 ' O ' ' A' ' 85' ' ' LEU . 0.2 OUTLIER -61.91 -45.31 94.29 Favored 'General case' 0 N--CA 1.452 -0.342 0 C-N-CA 120.09 -0.644 . . . . 0.0 110.369 -179.71 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 64.0 tttm -62.26 -41.01 98.07 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.46 -0.496 . . . . 0.0 110.313 179.765 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -67.39 -53.16 31.67 Favored 'General case' 0 N--CA 1.452 -0.367 0 C-N-CA 120.623 -0.431 . . . . 0.0 110.466 179.569 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -52.47 -45.63 66.19 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.411 -0.516 . . . . 0.0 110.208 -179.654 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 36.5 t80 -57.02 -44.57 83.0 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.024 179.429 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 64.9 mmtt -60.3 -32.61 71.38 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.745 -0.382 . . . . 0.0 110.896 179.357 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 98.9 t -70.18 -48.23 62.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 C-N-CA 120.528 -0.469 . . . . 0.0 110.74 179.439 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -63.47 -33.84 76.46 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.556 -0.458 . . . . 0.0 110.249 179.827 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.528 ' OD2' ' N ' ' A' ' 98' ' ' GLY . 21.3 t0 -70.22 66.22 0.28 Allowed 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 120.561 -0.456 . . . . 0.0 110.629 -179.446 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -48.84 -47.76 42.33 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.347 -0.541 . . . . 0.0 110.186 -179.229 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -73.82 -6.73 48.88 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 120.856 -0.337 . . . . 0.0 110.213 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 6.2 tt0 49.18 36.88 9.85 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.018 -179.489 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 53.6 p-10 -92.77 3.43 55.66 Favored 'General case' 0 N--CA 1.464 0.251 0 C-N-CA 120.739 -0.384 . . . . 0.0 111.345 -179.085 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . 0.528 ' N ' ' OD2' ' A' ' 93' ' ' ASP . . . 88.0 -9.63 73.85 Favored Glycine 0 CA--C 1.525 0.717 0 N-CA-C 111.395 -0.682 . . . . 0.0 111.395 179.57 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 60.7 m-85 -127.29 133.3 50.16 Favored 'General case' 0 N--CA 1.467 0.417 0 N-CA-C 110.273 -0.269 . . . . 0.0 110.273 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 38.7 mt -84.23 129.06 38.27 Favored 'Isoleucine or valine' 0 C--O 1.237 0.402 0 N-CA-C 108.936 -0.764 . . . . 0.0 108.936 179.062 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.5 m -96.04 154.1 17.42 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.592 -179.547 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -50.16 -40.66 47.34 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.346 -0.541 . . . . 0.0 110.22 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 78.1 p -64.73 -36.28 83.79 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.723 -0.391 . . . . 0.0 110.577 179.42 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 85.5 mt-10 -69.15 -42.03 76.51 Favored 'General case' 0 N--CA 1.444 -0.756 0 C-N-CA 120.563 -0.455 . . . . 0.0 109.996 179.029 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 27.8 tp -66.78 -40.77 88.31 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-O 121.128 0.49 . . . . 0.0 109.685 178.809 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 36.1 ttt85 -58.71 -49.97 75.62 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.258 -0.577 . . . . 0.0 109.766 179.349 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 11.7 t-160 -54.18 -41.09 68.16 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 -179.764 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 86.2 t -65.63 -42.78 93.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 C-N-CA 120.605 -0.438 . . . . 0.0 110.228 178.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 19.8 mmt -59.54 -44.08 93.31 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.647 -0.421 . . . . 0.0 110.331 -179.212 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.405 ' N ' HD12 ' A' ' 110' ' ' ILE . 1.7 mp -65.0 -42.68 95.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 C-N-CA 120.518 -0.473 . . . . 0.0 110.182 177.785 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 19.8 t-20 -59.17 -33.59 71.11 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 -179.354 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 8.7 mp -81.0 -2.48 48.1 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.17 179.426 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 83.92 17.76 64.73 Favored Glycine 0 CA--C 1.526 0.763 0 N-CA-C 111.024 -0.831 . . . . 0.0 111.024 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -121.27 135.64 55.09 Favored 'General case' 0 N--CA 1.467 0.41 0 N-CA-C 109.666 -0.494 . . . . 0.0 109.666 179.595 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 39.5 pttt -140.27 119.12 12.52 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-O 120.738 0.304 . . . . 0.0 110.392 -179.609 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.902 HD22 ' N ' ' A' ' 116' ' ' LEU . 0.9 OUTLIER -105.17 157.5 17.23 Favored 'General case' 0 N--CA 1.466 0.341 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 -179.967 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 19.9 p -63.99 164.51 10.37 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.064 -0.654 . . . . 0.0 109.347 -179.407 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 54.3 t0 -62.41 -40.35 96.23 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.378 -0.529 . . . . 0.0 110.564 -179.486 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -62.17 -33.72 75.05 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 120.687 -0.405 . . . . 0.0 110.667 -179.767 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 72.9 mm-40 -70.39 -45.29 66.28 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 120.512 -0.475 . . . . 0.0 110.514 179.14 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 74.8 t -63.26 -47.31 92.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 C-N-CA 120.46 -0.496 . . . . 0.0 110.15 179.68 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -57.29 -39.18 75.2 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 120.797 -0.361 . . . . 0.0 110.377 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 92.9 mt-30 -68.3 -39.13 82.16 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.732 -0.387 . . . . 0.0 110.768 179.216 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 90.1 mtp -62.64 -43.98 97.43 Favored 'General case' 0 N--CA 1.449 -0.497 0 C-N-CA 120.734 -0.386 . . . . 0.0 110.711 -179.447 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . 0.402 HG22 ' OD2' ' A' ' 129' ' ' ASP . 9.6 mm -62.91 -48.2 89.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 C-N-CA 120.596 -0.442 . . . . 0.0 110.025 179.437 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 9.2 mtmp? -63.29 -44.31 95.4 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.992 179.708 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 71.5 mm-40 -68.01 -38.16 82.28 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.982 179.576 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -76.27 -28.95 57.26 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.167 -179.428 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . 0.402 ' OD2' HG22 ' A' ' 125' ' ' ILE . 89.7 m-20 -75.16 114.73 14.0 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.211 0.529 . . . . 0.0 111.286 -179.276 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 57.7 tp -77.49 -29.07 52.4 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.716 -0.675 . . . . 0.0 111.28 179.712 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . 0.402 ' OD1' ' C ' ' A' ' 131' ' ' ASP . 41.2 p-10 -106.53 16.28 24.83 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 111.701 0.26 . . . . 0.0 111.701 -178.798 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 39.2 53.71 2.65 Favored Glycine 0 CA--C 1.53 0.985 0 C-N-CA 120.625 -0.798 . . . . 0.0 111.476 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . 0.511 ' OD1' ' N ' ' A' ' 135' ' ' GLN . 26.4 p30 -97.78 -15.84 20.12 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 117.009 0.405 . . . . 0.0 110.142 -179.691 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . 0.443 ' N ' ' OD1' ' A' ' 133' ' ' ASP . . . 97.29 -10.91 65.47 Favored Glycine 0 C--N 1.331 0.265 0 N-CA-C 110.319 -1.112 . . . . 0.0 110.319 179.66 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . 0.511 ' N ' ' OD1' ' A' ' 133' ' ' ASP . 4.6 mt-30 -118.22 134.98 54.54 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-O 120.578 0.228 . . . . 0.0 110.604 -178.736 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 89.0 t -80.05 121.84 34.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 N-CA-C 108.359 -0.978 . . . . 0.0 108.359 178.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 63.3 t30 -94.86 163.54 13.3 Favored 'General case' 0 N--CA 1.469 0.516 0 N-CA-C 110.1 -0.333 . . . . 0.0 110.1 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . 0.425 ' CZ ' HD12 ' A' ' 85' ' ' LEU . 43.5 t80 -45.72 -52.39 11.05 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.59 -0.444 . . . . 0.0 111.004 -178.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 38.5 tp10 -58.04 -42.55 85.61 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.76 -0.376 . . . . 0.0 111.092 -179.31 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 55.6 mt-10 -66.13 -41.75 90.04 Favored 'General case' 0 C--N 1.324 -0.512 0 C-N-CA 120.196 -0.602 . . . . 0.0 110.317 179.793 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 61.4 t80 -61.87 -50.82 70.7 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 179.198 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 53.6 t -59.47 -45.34 93.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 N-CA-C 109.138 -0.689 . . . . 0.0 109.138 179.698 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 63.9 tttp -60.89 -49.71 76.36 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.943 179.617 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 59.7 ttp -60.73 -39.24 87.88 Favored 'General case' 0 CA--C 1.515 -0.383 0 CA-C-O 121.431 0.634 . . . . 0.0 109.354 179.176 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . 0.411 ' O ' ' OXT' ' A' ' 149' ' ' ARG . 42.1 ttm -66.03 -38.77 89.25 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 115.136 -0.938 . . . . 0.0 110.098 179.736 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 78.5 mmm -62.15 -39.82 93.9 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.861 -0.422 . . . . 0.0 109.861 179.436 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 71.2 m -58.09 -72.77 0.09 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.38 -179.756 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 12.7 m -62.54 -27.71 43.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.366 179.755 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 149' ' ' ARG . . . . . 0.411 ' OXT' ' O ' ' A' ' 145' ' ' MET . 61.1 ttp180 . . . . . 0 C--O 1.221 -0.43 0 CA-C-O 118.031 -0.985 . . . . 0.0 110.565 179.626 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 221' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 234' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 . . . . . 0 N--CA 1.489 1.484 0 N-CA-C 110.05 -0.352 . . . . 0.0 110.05 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -55.92 -47.89 76.67 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.406 -0.518 . . . . 0.0 109.937 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -65.57 -38.75 90.45 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.96 0.41 . . . . 0.0 110.576 -179.772 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -64.12 -71.41 0.18 Allowed 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 179.135 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -43.95 -37.29 2.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.602 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.517 HD23 ' OH ' ' A' ' 138' ' ' TYR . 51.0 tp -60.59 -43.97 96.77 Favored 'General case' 0 C--N 1.331 -0.202 0 C-N-CA 120.284 -0.566 . . . . 0.0 110.114 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 60.0 mmtt -62.18 -39.14 91.71 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 120.471 -0.492 . . . . 0.0 110.406 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.432 ' O ' ' HG3' ' A' ' 90' ' ' LYS . 38.5 tp10 -70.59 -48.84 53.24 Favored 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 120.476 -0.49 . . . . 0.0 109.988 179.504 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -55.79 -47.88 76.31 Favored 'General case' 0 C--N 1.319 -0.751 0 C-N-CA 120.261 -0.576 . . . . 0.0 110.367 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 54.6 t80 -57.06 -45.09 83.49 Favored 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 120.782 -0.367 . . . . 0.0 110.55 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.444 ' HG3' ' N ' ' A' ' 91' ' ' VAL . 0.0 OUTLIER -60.01 -29.53 68.55 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.232 0.539 . . . . 0.0 111.174 -179.909 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.444 ' N ' ' HG3' ' A' ' 90' ' ' LYS . 54.0 t -70.48 -46.71 69.3 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.207 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.262 -179.093 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -62.96 -30.9 71.93 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.251 179.297 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.548 ' OD2' ' N ' ' A' ' 98' ' ' GLY . 18.0 t0 -72.46 66.83 0.71 Allowed 'General case' 0 C--N 1.322 -0.623 0 C-N-CA 120.668 -0.413 . . . . 0.0 110.784 -179.39 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 75.7 tttt -51.78 -47.58 64.12 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.322 -0.551 . . . . 0.0 109.999 -179.417 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . 0.439 ' OD2' ' OE2' ' A' ' 104' ' ' GLU . 4.6 m-20 -72.94 -6.22 43.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.96 0.41 . . . . 0.0 110.054 -179.629 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 47.9 tt0 49.9 33.05 6.06 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.082 -0.508 . . . . 0.0 109.841 -179.613 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 48.9 p-10 -90.5 3.93 52.57 Favored 'General case' 0 C--N 1.329 -0.314 0 O-C-N 122.07 -0.394 . . . . 0.0 111.09 -179.147 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . 0.548 ' N ' ' OD2' ' A' ' 93' ' ' ASP . . . 83.35 -0.38 89.7 Favored Glycine 0 CA--C 1.527 0.84 0 N-CA-C 111.414 -0.674 . . . . 0.0 111.414 179.591 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 48.3 m-85 -133.11 138.14 46.57 Favored 'General case' 0 N--CA 1.469 0.475 0 N-CA-C 110.306 -0.257 . . . . 0.0 110.306 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 15.8 mt -90.61 126.63 43.38 Favored 'Isoleucine or valine' 0 C--O 1.239 0.522 0 N-CA-C 108.943 -0.762 . . . . 0.0 108.943 178.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 24.8 p -98.59 159.65 14.81 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.783 -179.447 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -53.76 -41.96 67.71 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.392 -0.523 . . . . 0.0 109.768 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . 0.508 ' O ' ' ND1' ' A' ' 107' ' ' HIS . 77.2 p -58.58 -40.69 83.84 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-O 121.078 0.465 . . . . 0.0 110.327 179.8 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.476 ' O ' HG23 ' A' ' 108' ' ' VAL . 95.5 mt-10 -73.12 -39.93 65.34 Favored 'General case' 0 N--CA 1.444 -0.735 0 C-N-CA 120.572 -0.451 . . . . 0.0 110.738 178.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 39.2 tp -62.46 -44.34 96.64 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-O 120.863 0.364 . . . . 0.0 111.295 -179.72 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.45 ' HG2' ' O ' ' A' ' 103' ' ' SER . 19.1 ptp180 -64.96 -43.59 92.17 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.504 -0.479 . . . . 0.0 110.108 179.596 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . 0.508 ' ND1' ' O ' ' A' ' 103' ' ' SER . 37.5 m170 -57.64 -44.52 85.67 Favored 'General case' 0 N--CA 1.452 -0.33 0 C-N-CA 120.49 -0.484 . . . . 0.0 109.815 -179.697 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.476 HG23 ' O ' ' A' ' 104' ' ' GLU . 96.5 t -65.9 -42.78 92.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.272 179.327 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 3.6 mmt -62.62 -43.22 99.36 Favored 'General case' 0 C--N 1.332 -0.186 0 C-N-CA 120.543 -0.463 . . . . 0.0 110.361 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 94.2 mt -63.07 -44.65 99.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 C-N-CA 120.479 -0.489 . . . . 0.0 109.726 179.578 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 28.8 t30 -60.86 -28.61 68.98 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.728 -0.471 . . . . 0.0 109.728 179.564 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.431 HD22 ' HA ' ' A' ' 112' ' ' LEU . 0.2 OUTLIER -82.42 -1.81 51.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.066 -179.858 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 87.94 13.15 64.95 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -116.02 127.58 55.02 Favored 'General case' 0 N--CA 1.467 0.42 0 N-CA-C 109.866 -0.42 . . . . 0.0 109.866 179.401 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 19.6 pttm -136.67 114.79 11.54 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-O 121.014 0.435 . . . . 0.0 110.53 -179.773 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 60.6 mt -109.01 163.92 12.88 Favored 'General case' 0 N--CA 1.466 0.351 0 N-CA-C 109.553 -0.536 . . . . 0.0 109.553 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 72.3 p -71.3 167.74 18.85 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . 0.534 ' OD1' ' N ' ' A' ' 119' ' ' GLU . 40.3 p-10 -64.41 -42.62 95.99 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.424 -0.51 . . . . 0.0 110.905 -179.76 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . 0.534 ' N ' ' OD1' ' A' ' 118' ' ' ASP . 96.8 mt-10 -58.22 -33.26 69.12 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.813 0.34 . . . . 0.0 110.747 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -73.9 -46.77 42.44 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 120.515 -0.474 . . . . 0.0 110.312 178.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 69.5 t -65.63 -43.99 93.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.076 179.475 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -63.21 -39.51 94.83 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.714 -0.394 . . . . 0.0 110.388 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 78.4 mm-40 -69.23 -41.22 77.31 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.682 -0.407 . . . . 0.0 110.503 179.238 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 45.7 ttp -65.03 -42.29 94.47 Favored 'General case' 0 N--CA 1.45 -0.458 0 C-N-CA 120.97 -0.292 . . . . 0.0 110.316 179.538 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 4.7 mm -64.27 -47.44 89.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 121.311 0.577 . . . . 0.0 109.781 179.64 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 54.7 mtpt -64.57 -39.88 94.54 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.811 179.384 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 75.9 tt0 -73.88 -35.83 64.75 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.818 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -75.44 -29.05 59.57 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.321 -179.343 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . 0.506 ' OD2' ' N ' ' A' ' 133' ' ' ASP . 28.7 t0 -70.87 110.8 5.83 Favored 'General case' 0 CA--C 1.509 -0.607 0 CA-C-O 121.215 0.531 . . . . 0.0 111.893 -179.16 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.467 ' H ' ' HG2' ' A' ' 140' ' ' GLU . 51.6 tp -88.45 -26.44 22.1 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.409 -0.814 . . . . 0.0 111.35 179.365 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 44.1 m-20 -79.94 -10.61 59.79 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 120.921 -0.311 . . . . 0.0 111.553 -178.499 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 70.99 22.02 78.38 Favored Glycine 0 CA--C 1.527 0.789 0 C-N-CA 120.551 -0.833 . . . . 0.0 111.213 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . 0.506 ' N ' ' OD2' ' A' ' 129' ' ' ASP . 37.6 p-10 -95.02 -12.41 26.67 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-O 120.91 0.386 . . . . 0.0 110.39 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 85.34 11.27 75.76 Favored Glycine 0 C--N 1.331 0.287 0 N-CA-C 110.531 -1.028 . . . . 0.0 110.531 179.773 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 9.1 mt-30 -121.71 146.6 46.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.896 0.379 . . . . 0.0 110.382 -178.597 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 6.4 t -87.67 117.32 31.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 N-CA-C 108.158 -1.052 . . . . 0.0 108.158 178.431 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 58.2 t30 -103.41 169.75 8.35 Favored 'General case' 0 N--CA 1.468 0.44 0 N-CA-C 109.965 -0.383 . . . . 0.0 109.965 179.325 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . 0.517 ' OH ' HD23 ' A' ' 85' ' ' LEU . 69.2 t80 -45.65 -52.12 11.25 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 120.936 -0.306 . . . . 0.0 110.967 -178.753 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 83.1 tt0 -60.48 -45.07 95.08 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 120.841 -0.343 . . . . 0.0 111.21 -179.454 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . 0.467 ' HG2' ' H ' ' A' ' 130' ' ' LEU . 57.8 mt-10 -67.0 -43.36 83.14 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 120.181 -0.608 . . . . 0.0 110.493 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . 0.481 ' O ' ' N ' ' A' ' 145' ' ' MET . 55.9 t80 -60.64 -49.54 77.09 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.176 -0.676 . . . . 0.0 109.176 179.357 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 35.3 t -60.09 -46.52 94.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 179.322 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 26.4 tptp -62.97 -48.59 78.2 Favored 'General case' 0 N--CA 1.444 -0.731 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.376 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 144' ' ' MET . . . . . 0.446 ' SD ' ' C ' ' A' ' 144' ' ' MET . 9.0 tmm? -66.72 -43.09 85.19 Favored 'General case' 0 CA--C 1.51 -0.558 0 CA-C-O 121.615 0.722 . . . . 0.0 110.03 178.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . 0.6 ' O ' HG22 ' A' ' 148' ' ' VAL . 11.4 tmm? -61.53 -37.84 85.24 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 114.739 -1.119 . . . . 0.0 109.916 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 146' ' ' MET . . . . . 0.503 ' O ' ' N ' ' A' ' 148' ' ' VAL . 15.2 mmt -71.05 -40.94 71.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.278 178.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 147' ' ' THR . . . . . 0.532 ' C ' ' H ' ' A' ' 149' ' ' ARG . 5.7 m -45.35 -15.4 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.017 0.437 . . . . 0.0 110.804 -179.383 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 148' ' ' VAL . . . . . 0.6 HG22 ' O ' ' A' ' 145' ' ' MET . 10.6 m -66.14 11.98 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.855 -179.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 149' ' ' ARG . . . . . 0.532 ' H ' ' C ' ' A' ' 147' ' ' THR . 85.1 mtp180 . . . . . 0 C--O 1.22 -0.458 0 CA-C-O 117.885 -1.055 . . . . 0.0 110.273 179.553 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 221' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 234' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 48.2 t0 . . . . . 0 N--CA 1.493 1.716 0 N-CA-C 109.813 -0.439 . . . . 0.0 109.813 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -49.42 -46.11 47.18 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 120.271 -0.572 . . . . 0.0 109.846 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.425 ' OE1' ' O ' ' A' ' 82' ' ' GLU . 2.9 tm-20 -63.88 -33.39 75.58 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 120.779 -0.369 . . . . 0.0 110.554 179.431 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -68.45 -68.46 0.39 Allowed 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.045 -0.724 . . . . 0.0 109.045 178.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -44.55 -36.33 2.95 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.571 -0.452 . . . . 0.0 110.509 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 31.6 mt -62.97 -44.69 95.35 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.343 -0.543 . . . . 0.0 110.589 179.563 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 24.3 mtpp -62.6 -41.16 98.81 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.38 -0.528 . . . . 0.0 110.357 179.18 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 83.3 tt0 -72.3 -49.9 31.11 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.607 -0.437 . . . . 0.0 110.112 179.501 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -53.86 -46.46 71.29 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 120.285 -0.566 . . . . 0.0 110.075 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 69.9 t80 -60.32 -43.21 96.6 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.035 179.153 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 65.0 tttm -61.27 -32.12 71.94 Favored 'General case' 0 C--N 1.332 -0.193 0 C-N-CA 120.885 -0.326 . . . . 0.0 110.493 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 84.6 t -78.25 -31.96 16.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 C-N-CA 120.638 -0.425 . . . . 0.0 110.505 179.339 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -65.91 -35.55 80.92 Favored 'General case' 0 C--N 1.331 -0.199 0 C-N-CA 120.391 -0.524 . . . . 0.0 110.445 179.712 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.539 ' OD2' ' N ' ' A' ' 98' ' ' GLY . 10.7 t0 -76.14 75.68 2.98 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 120.307 -0.557 . . . . 0.0 111.05 -179.116 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 53.7 mtpt -51.8 -46.5 64.26 Favored 'General case' 0 C--N 1.333 -0.142 0 C-N-CA 120.331 -0.548 . . . . 0.0 110.01 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -71.4 -4.88 28.77 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.943 0.401 . . . . 0.0 109.93 179.81 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . 0.43 ' N ' ' OD1' ' A' ' 93' ' ' ASP . 35.4 tt0 50.84 29.1 4.09 Favored 'General case' 0 C--N 1.324 -0.512 0 C-N-CA 120.541 -0.464 . . . . 0.0 110.081 -179.798 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 51.4 p-10 -84.58 0.01 51.57 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 122.037 -0.414 . . . . 0.0 111.031 -179.36 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . 0.539 ' N ' ' OD2' ' A' ' 93' ' ' ASP . . . 86.86 -9.36 72.22 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.421 ' N ' ' OD2' ' A' ' 93' ' ' ASP . 33.0 m-85 -127.2 133.67 50.23 Favored 'General case' 0 N--CA 1.469 0.52 0 N-CA-C 110.185 -0.302 . . . . 0.0 110.185 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.436 ' O ' ' NE2' ' A' ' 135' ' ' GLN . 20.7 mt -82.96 128.43 38.73 Favored 'Isoleucine or valine' 0 C--O 1.233 0.19 0 N-CA-C 109.035 -0.728 . . . . 0.0 109.035 179.102 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . 0.422 ' CA ' HE22 ' A' ' 135' ' ' GLN . 6.9 p -95.85 153.06 17.94 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.637 -179.513 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -49.68 -39.67 37.33 Favored 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 120.333 -0.547 . . . . 0.0 109.901 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 67.7 m -61.54 -39.02 89.57 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-O 120.876 0.37 . . . . 0.0 110.613 179.084 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.41 ' O ' HG23 ' A' ' 108' ' ' VAL . 90.7 mt-10 -70.62 -42.08 71.39 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 120.583 -0.447 . . . . 0.0 110.396 179.509 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.772 ' C ' HD13 ' A' ' 105' ' ' LEU . 2.8 tm? -64.62 -44.02 91.87 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-O 121.443 0.639 . . . . 0.0 110.097 178.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.516 ' HE ' HD11 ' A' ' 110' ' ' ILE . 9.4 tpt180 -61.61 -46.83 88.15 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 120.236 -0.585 . . . . 0.0 109.973 179.693 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 11.8 t-160 -53.93 -39.79 66.17 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 120.486 -0.486 . . . . 0.0 109.829 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.41 HG23 ' O ' ' A' ' 104' ' ' GLU . 74.7 t -61.63 -42.88 95.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 C-N-CA 120.732 -0.387 . . . . 0.0 110.093 179.057 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . 0.564 ' SD ' ' N ' ' A' ' 109' ' ' MET . 0.0 OUTLIER -58.95 -41.25 86.99 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.565 -0.454 . . . . 0.0 110.361 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.516 HD11 ' HE ' ' A' ' 106' ' ' ARG . 12.8 mm -64.18 -44.56 97.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 179.083 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 7.1 t-20 -59.25 -33.45 71.04 Favored 'General case' 0 C--N 1.331 -0.209 0 C-N-CA 120.712 -0.395 . . . . 0.0 109.943 179.725 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 8.6 mp -80.98 -4.36 54.79 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.868 179.328 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 82.66 20.54 61.52 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -113.04 129.42 56.51 Favored 'General case' 0 N--CA 1.467 0.392 0 N-CA-C 109.643 -0.503 . . . . 0.0 109.643 179.635 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 16.2 pttm -129.73 108.63 10.33 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-O 120.79 0.328 . . . . 0.0 110.239 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 5.0 mp -110.88 160.0 17.18 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 179.719 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 6.6 p -69.15 161.62 28.75 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.066 -0.653 . . . . 0.0 109.602 -179.838 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -62.06 -39.03 91.0 Favored 'General case' 0 C--N 1.331 -0.205 0 C-N-CA 120.421 -0.512 . . . . 0.0 110.669 179.79 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 77.3 mt-10 -56.34 -38.48 71.42 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.654 -0.418 . . . . 0.0 110.516 179.781 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -70.47 -46.55 63.56 Favored 'General case' 0 N--CA 1.448 -0.533 0 C-N-CA 120.465 -0.494 . . . . 0.0 110.111 179.294 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 70.2 t -63.28 -48.75 85.99 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 C-N-CA 120.321 -0.552 . . . . 0.0 110.186 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -56.0 -37.36 69.02 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.625 -0.43 . . . . 0.0 110.274 179.66 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 65.7 tp60 -67.54 -41.03 84.95 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 120.492 -0.483 . . . . 0.0 110.4 179.114 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 39.1 ttp -64.54 -44.53 90.52 Favored 'General case' 0 N--CA 1.449 -0.497 0 C-N-CA 120.794 -0.363 . . . . 0.0 110.424 -179.829 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . 0.431 HG22 ' OD2' ' A' ' 129' ' ' ASP . 7.9 mm -62.42 -48.59 87.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 121.064 0.459 . . . . 0.0 109.825 179.173 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 27.1 mmtp -63.75 -43.18 97.21 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.761 179.458 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 76.0 tt0 -68.81 -36.18 77.91 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.804 179.778 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -78.45 -29.08 46.72 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.033 -179.362 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . 0.431 ' OD2' HG22 ' A' ' 125' ' ' ILE . 82.6 m-20 -79.91 124.16 28.42 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 120.368 -0.533 . . . . 0.0 111.466 -179.132 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 2.3 pp -85.69 -17.27 36.47 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.247 179.559 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 38.7 p30 -113.97 14.35 18.42 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.988 -0.285 . . . . 0.0 111.53 -179.341 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 41.47 32.65 0.8 Allowed Glycine 0 CA--C 1.53 1.015 0 C-N-CA 120.317 -0.944 . . . . 0.0 111.219 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . 0.555 ' OD1' ' N ' ' A' ' 134' ' ' GLY . 48.5 p30 -75.42 -19.85 59.24 Favored 'General case' 0 N--CA 1.462 0.167 0 C-N-CA 120.49 -0.484 . . . . 0.0 110.391 179.816 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . 0.555 ' N ' ' OD1' ' A' ' 133' ' ' ASP . . . 96.66 -6.83 65.23 Favored Glycine 0 C--N 1.331 0.259 0 N-CA-C 110.336 -1.106 . . . . 0.0 110.336 179.538 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . 0.436 ' NE2' ' O ' ' A' ' 100' ' ' ILE . 21.2 mm100 -117.38 131.37 56.79 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-O 120.544 0.212 . . . . 0.0 110.475 -178.854 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 86.4 t -80.82 118.56 28.79 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.241 0 N-CA-C 108.37 -0.974 . . . . 0.0 108.37 178.706 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 65.4 t30 -94.32 170.01 9.81 Favored 'General case' 0 N--CA 1.47 0.53 0 N-CA-C 110.042 -0.355 . . . . 0.0 110.042 179.83 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . 0.437 ' CE2' HG21 ' A' ' 142' ' ' VAL . 83.7 t80 -51.8 -49.29 63.05 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.576 -0.45 . . . . 0.0 111.01 -178.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 39.8 tp10 -56.98 -45.01 83.23 Favored 'General case' 0 CA--C 1.519 -0.218 0 O-C-N 122.054 -0.404 . . . . 0.0 111.115 -179.488 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -67.83 -38.81 83.7 Favored 'General case' 0 C--N 1.316 -0.891 0 C-N-CA 120.159 -0.617 . . . . 0.0 110.04 179.263 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . 0.429 ' O ' ' N ' ' A' ' 145' ' ' MET . 70.0 t80 -62.25 -50.77 70.4 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 108.776 -0.824 . . . . 0.0 108.776 179.071 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . 0.437 HG21 ' CE2' ' A' ' 138' ' ' TYR . 55.5 t -59.5 -47.52 90.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 179.422 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 3.2 tppp? -61.86 -48.62 79.69 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.725 179.034 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 55.5 ttp -63.17 -40.37 97.35 Favored 'General case' 0 CA--C 1.513 -0.464 0 CA-C-O 121.53 0.681 . . . . 0.0 109.326 178.599 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . 0.429 ' N ' ' O ' ' A' ' 141' ' ' PHE . 28.1 tpp -63.95 -39.86 95.1 Favored 'General case' 0 N--CA 1.444 -0.761 0 CA-C-N 115.36 -0.836 . . . . 0.0 109.679 -179.395 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 86.5 mtp -62.15 -38.78 90.29 Favored 'General case' 0 N--CA 1.451 -0.402 0 N-CA-C 110.044 -0.354 . . . . 0.0 110.044 179.323 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 73.1 m -58.85 -72.54 0.1 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.682 -179.774 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 148' ' ' VAL . . . . . 0.454 HG23 ' N ' ' A' ' 149' ' ' ARG . 18.8 m -62.92 -41.29 92.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.188 179.629 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 149' ' ' ARG . . . . . 0.454 ' N ' HG23 ' A' ' 148' ' ' VAL . 1.1 mmp_? . . . . . 0 C--O 1.221 -0.433 0 CA-C-O 117.996 -1.002 . . . . 0.0 110.602 179.487 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 221' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 234' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.54 ' CG ' ' H ' ' A' ' 81' ' ' ALA . 4.2 p-10 . . . . . 0 N--CA 1.49 1.558 0 N-CA-C 109.972 -0.381 . . . . 0.0 109.972 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.54 ' H ' ' CG ' ' A' ' 80' ' ' ASP . . . -45.8 -44.89 14.41 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.759 -0.46 . . . . 0.0 109.759 -179.727 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 5.0 tm-20 -65.43 -38.98 91.52 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.677 -0.409 . . . . 0.0 110.688 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 83.2 tt0 -64.32 -70.6 0.21 Allowed 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 108.922 -0.77 . . . . 0.0 108.922 179.191 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -43.79 -35.13 1.78 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.477 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.538 HD13 ' SD ' ' A' ' 145' ' ' MET . 56.5 tp -61.9 -44.67 96.33 Favored 'General case' 0 C--N 1.332 -0.194 0 C-N-CA 120.383 -0.527 . . . . 0.0 110.26 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 53.3 mtpt -62.49 -40.53 96.99 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 120.416 -0.514 . . . . 0.0 110.349 179.753 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 81.6 tt0 -67.68 -50.81 55.83 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.606 -0.437 . . . . 0.0 109.943 179.441 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -52.72 -45.39 66.93 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 179.769 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 62.8 t80 -55.5 -45.32 77.08 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.787 -0.449 . . . . 0.0 109.787 179.539 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 28.4 mmtp -60.11 -32.8 71.33 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.769 179.701 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 97.3 t -68.55 -48.07 73.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 C-N-CA 120.483 -0.487 . . . . 0.0 110.716 179.489 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -63.29 -33.2 75.0 Favored 'General case' 0 N--CA 1.465 0.296 0 C-N-CA 120.787 -0.365 . . . . 0.0 110.167 179.65 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 39.3 t0 -71.77 64.38 0.47 Allowed 'General case' 0 C--N 1.324 -0.541 0 C-N-CA 120.681 -0.408 . . . . 0.0 110.677 -179.403 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 58.4 tttm -52.08 -48.31 64.76 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 120.383 -0.527 . . . . 0.0 109.947 -179.217 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . 0.414 ' OD2' ' OE2' ' A' ' 104' ' ' GLU . 7.5 m-20 -67.37 -7.94 28.76 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.045 0.45 . . . . 0.0 109.891 -179.833 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 99.0 mt-30 49.8 36.95 12.16 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.232 -179.597 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . 0.408 ' OD1' ' O ' ' A' ' 99' ' ' TYR . 35.9 p-10 -96.39 7.0 47.57 Favored 'General case' 0 N--CA 1.465 0.298 0 C-N-CA 121.073 -0.251 . . . . 0.0 111.317 -179.402 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 82.0 -9.0 58.68 Favored Glycine 0 CA--C 1.527 0.8 0 N-CA-C 111.356 -0.698 . . . . 0.0 111.356 179.427 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.408 ' O ' ' OD1' ' A' ' 97' ' ' ASN . 30.2 m-85 -128.39 135.26 49.3 Favored 'General case' 0 N--CA 1.469 0.485 0 N-CA-C 110.161 -0.311 . . . . 0.0 110.161 -179.83 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 31.9 mt -82.91 129.07 38.07 Favored 'Isoleucine or valine' 0 C--O 1.235 0.33 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 179.047 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 17.0 t -95.34 160.37 14.56 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.615 -179.246 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -56.87 -43.85 81.64 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 120.329 -0.548 . . . . 0.0 109.855 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 67.4 m -56.71 -39.02 73.14 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-O 120.931 0.395 . . . . 0.0 110.408 179.75 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.414 ' OE2' ' OD2' ' A' ' 95' ' ' ASP . 95.5 mt-10 -71.82 -35.72 70.0 Favored 'General case' 0 N--CA 1.444 -0.762 0 C-N-CA 120.753 -0.379 . . . . 0.0 110.564 179.48 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.574 HD13 ' O ' ' A' ' 105' ' ' LEU . 0.2 OUTLIER -60.37 -43.95 96.06 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-O 121.123 0.487 . . . . 0.0 110.124 -179.09 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.402 ' HG3' ' N ' ' A' ' 107' ' ' HIS . 8.9 ptm180 -71.0 -38.94 72.67 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 120.441 -0.504 . . . . 0.0 110.108 179.461 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . 0.402 ' N ' ' HG3' ' A' ' 106' ' ' ARG . 58.5 t-80 -58.02 -42.46 85.31 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 179.799 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.409 ' O ' HD13 ' A' ' 112' ' ' LEU . 78.5 t -65.05 -43.19 95.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.241 -0.436 . . . . 0.0 109.99 178.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 20.9 mmt -60.77 -40.98 94.55 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.59 -0.444 . . . . 0.0 110.068 -179.665 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 97.6 mt -65.07 -44.3 95.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 C-N-CA 120.648 -0.421 . . . . 0.0 109.952 179.112 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 25.0 t30 -60.43 -31.41 70.38 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.226 -0.443 . . . . 0.0 109.994 179.705 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.409 HD13 ' O ' ' A' ' 108' ' ' VAL . 8.1 mp -82.8 -1.86 52.93 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.008 179.479 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 84.49 20.39 58.59 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 75.1 mt-10 -115.72 130.35 56.82 Favored 'General case' 0 N--CA 1.466 0.338 0 N-CA-C 109.666 -0.494 . . . . 0.0 109.666 179.677 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 4.9 ptpp? -126.91 108.56 11.09 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-O 120.914 0.388 . . . . 0.0 110.071 179.778 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 55.5 mt -108.4 153.81 22.75 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 109.607 -0.516 . . . . 0.0 109.607 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 72.3 p -70.45 164.54 24.45 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -62.39 -37.96 87.76 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.348 -0.541 . . . . 0.0 110.507 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -57.66 -36.92 72.54 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 120.635 -0.426 . . . . 0.0 110.545 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 -71.94 -48.06 47.95 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.477 -0.489 . . . . 0.0 110.164 179.054 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 81.6 t -62.25 -48.3 89.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 C-N-CA 120.652 -0.419 . . . . 0.0 109.929 179.61 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 83.9 tt0 -58.02 -37.08 73.66 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.68 -0.408 . . . . 0.0 110.097 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 65.7 tt0 -68.96 -40.6 78.79 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 120.622 -0.431 . . . . 0.0 110.553 179.258 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 44.0 ttm -63.39 -43.96 96.06 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-O 120.743 0.306 . . . . 0.0 110.485 -179.677 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . 0.477 HG22 ' OD2' ' A' ' 129' ' ' ASP . 7.2 mm -62.72 -48.21 89.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 121.203 0.525 . . . . 0.0 109.772 179.493 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 42.6 mmtm -65.48 -44.32 87.49 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.972 179.601 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 36.4 tp10 -68.94 -36.25 77.73 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.725 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -78.9 -30.28 44.8 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.188 -179.187 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . 0.477 ' OD2' HG22 ' A' ' 125' ' ' ILE . 86.3 m-20 -76.28 119.49 20.25 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.206 0.527 . . . . 0.0 111.395 -179.208 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 6.7 tt -79.08 -24.72 43.31 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.239 179.839 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . 0.411 ' O ' ' C ' ' A' ' 132' ' ' GLY . 45.3 p-10 -113.82 15.42 18.64 Favored 'General case' 0 N--CA 1.469 0.486 0 N-CA-C 111.576 0.213 . . . . 0.0 111.576 -178.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . 0.411 ' C ' ' O ' ' A' ' 131' ' ' ASP . . . 39.3 39.28 1.04 Allowed Glycine 0 CA--C 1.53 0.989 0 N-CA-C 111.189 -0.764 . . . . 0.0 111.189 179.698 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . 0.483 ' OD1' ' N ' ' A' ' 135' ' ' GLN . 19.8 p30 -78.3 -17.49 56.53 Favored 'General case' 0 N--CA 1.461 0.121 0 O-C-N 122.504 -0.409 . . . . 0.0 110.399 -179.87 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . 0.444 ' N ' ' OD1' ' A' ' 133' ' ' ASP . . . 97.92 -10.24 64.05 Favored Glycine 0 C--N 1.331 0.254 0 N-CA-C 110.196 -1.162 . . . . 0.0 110.196 179.583 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . 0.483 ' N ' ' OD1' ' A' ' 133' ' ' ASP . 8.8 mt-30 -118.48 131.7 56.25 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-O 120.668 0.271 . . . . 0.0 110.313 -178.797 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 52.9 t -81.19 121.48 34.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 N-CA-C 108.485 -0.932 . . . . 0.0 108.485 178.65 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 65.4 t30 -98.42 166.36 11.4 Favored 'General case' 0 N--CA 1.469 0.489 0 N-CA-C 110.124 -0.324 . . . . 0.0 110.124 179.463 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 85.5 t80 -51.24 -44.16 61.65 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.788 -0.365 . . . . 0.0 111.096 -178.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -58.24 -45.76 87.17 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.041 0.448 . . . . 0.0 110.896 -179.317 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -69.29 -38.52 78.34 Favored 'General case' 0 C--N 1.317 -0.805 0 C-N-CA 120.062 -0.655 . . . . 0.0 110.035 179.623 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 36.9 t80 -63.37 -56.5 15.8 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.287 -0.565 . . . . 0.0 110.081 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . 0.526 HG13 ' N ' ' A' ' 143' ' ' LYS . 7.8 p -58.18 -43.82 86.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 -179.333 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 143' ' ' LYS . . . . . 0.526 ' N ' HG13 ' A' ' 142' ' ' VAL . 64.9 tttp -62.9 -50.0 72.57 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.048 179.123 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 51.9 ttp -61.84 -39.52 92.12 Favored 'General case' 0 CA--C 1.512 -0.516 0 CA-C-O 121.632 0.729 . . . . 0.0 109.323 178.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . 0.538 ' SD ' HD13 ' A' ' 85' ' ' LEU . 34.3 ttm -61.57 -39.88 92.74 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.006 -0.997 . . . . 0.0 109.706 179.771 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 146' ' ' MET . . . . . 0.456 ' C ' ' N ' ' A' ' 148' ' ' VAL . 84.8 mmm -64.32 -40.46 95.94 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.8 -0.36 . . . . 0.0 110.043 179.439 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 25.4 m -48.61 -15.4 0.08 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.418 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 148' ' ' VAL . . . . . 0.489 HG12 ' O ' ' A' ' 148' ' ' VAL . 41.2 t -78.42 -1.73 4.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.368 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 18.7 mmm180 . . . . . 0 C--O 1.22 -0.461 0 CA-C-O 118.002 -0.999 . . . . 0.0 110.486 179.788 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 221' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 234' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 . . . . . 0 N--CA 1.493 1.687 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -51.18 -48.37 61.96 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 120.244 -0.582 . . . . 0.0 109.812 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.415 ' OE1' ' O ' ' A' ' 82' ' ' GLU . 2.5 tm-20 -61.29 -33.81 74.17 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 120.77 -0.372 . . . . 0.0 110.638 179.457 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 13.9 tm-20 -67.61 -68.54 0.38 Allowed 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 179.176 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -46.03 -46.21 16.49 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.588 -0.445 . . . . 0.0 110.43 -179.804 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 76.4 mt -62.41 -44.85 95.45 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.267 -0.573 . . . . 0.0 110.323 179.559 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 64.5 tttp -63.0 -41.87 99.7 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 120.452 -0.499 . . . . 0.0 110.268 179.255 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 47.0 tp10 -68.39 -52.37 33.72 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 120.67 -0.412 . . . . 0.0 109.992 179.715 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -52.28 -45.37 65.45 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.389 -0.524 . . . . 0.0 109.877 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 54.4 t80 -57.81 -45.01 86.71 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.575 -0.45 . . . . 0.0 110.052 179.068 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -64.85 -34.21 77.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.74 0.305 . . . . 0.0 110.795 179.603 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 59.9 t -80.74 -33.36 13.41 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 C-N-CA 120.642 -0.423 . . . . 0.0 110.679 179.603 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -60.47 -34.11 73.55 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 120.215 -0.594 . . . . 0.0 110.51 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.554 ' OD2' ' N ' ' A' ' 97' ' ' ASN . 37.1 t0 -69.52 87.3 0.47 Allowed 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 120.261 -0.575 . . . . 0.0 111.053 -178.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 84.0 tttt -55.88 -52.89 62.48 Favored 'General case' 0 C--N 1.332 -0.157 0 C-N-CA 120.105 -0.638 . . . . 0.0 110.435 -179.2 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . 0.429 ' OD1' ' OD1' ' A' ' 93' ' ' ASP . 50.8 p30 -75.74 0.64 17.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.002 0.43 . . . . 0.0 110.336 -179.665 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 47.5 tp60 48.28 35.47 5.61 Favored 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 120.512 -0.475 . . . . 0.0 110.225 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . 0.554 ' N ' ' OD2' ' A' ' 93' ' ' ASP . 43.6 p-10 -79.0 -13.48 59.76 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 120.649 -0.42 . . . . 0.0 110.99 -179.399 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 97.46 0.23 59.55 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 111.236 -0.746 . . . . 0.0 111.236 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 25.4 m-85 -135.33 142.61 45.82 Favored 'General case' 0 C--O 1.222 -0.35 0 CA-C-N 116.847 0.324 . . . . 0.0 110.305 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 4.1 mm -82.34 115.15 24.37 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.159 0 N-CA-C 108.758 -0.83 . . . . 0.0 108.758 178.69 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 25.6 m -89.19 155.14 19.6 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.591 -179.34 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -58.56 -45.52 88.8 Favored 'General case' 0 C--N 1.332 -0.178 0 C-N-CA 120.294 -0.562 . . . . 0.0 110.305 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 52.2 m -59.96 -42.74 94.74 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 120.709 -0.396 . . . . 0.0 110.593 179.503 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -65.16 -35.98 82.78 Favored 'General case' 0 N--CA 1.447 -0.61 0 C-N-CA 120.47 -0.492 . . . . 0.0 110.179 179.468 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 32.7 tp -67.17 -41.92 85.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.267 0.556 . . . . 0.0 110.427 178.809 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 83.5 mtp180 -61.53 -48.76 79.54 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 120.206 -0.598 . . . . 0.0 109.959 -179.723 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 53.9 t-80 -54.59 -43.08 71.82 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.582 -0.447 . . . . 0.0 109.817 179.622 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 69.7 t -64.89 -41.85 93.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 C-N-CA 120.615 -0.434 . . . . 0.0 110.127 178.528 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 40.7 mtt -58.67 -42.47 88.57 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.462 -0.495 . . . . 0.0 110.403 -179.469 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.404 ' N ' HD12 ' A' ' 110' ' ' ILE . 1.9 mp -66.97 -43.16 89.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-O 121.02 0.438 . . . . 0.0 109.967 178.412 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . 0.436 ' OD1' ' O ' ' A' ' 111' ' ' ASN . 31.6 t-20 -60.91 -33.09 72.6 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.252 -179.864 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -81.51 -0.33 41.42 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.127 179.367 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 84.71 10.94 78.28 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -106.94 121.9 45.36 Favored 'General case' 0 N--CA 1.465 0.301 0 N-CA-C 109.724 -0.473 . . . . 0.0 109.724 179.644 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 14.9 pttp -126.6 103.93 7.84 Favored 'General case' 0 N--CA 1.465 0.296 0 N-CA-C 110.019 -0.363 . . . . 0.0 110.019 -179.575 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 2.0 mp -108.38 156.72 19.1 Favored 'General case' 0 N--CA 1.466 0.329 0 N-CA-C 109.611 -0.514 . . . . 0.0 109.611 179.727 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 30.9 p -66.24 160.48 24.25 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 119.954 -0.698 . . . . 0.0 109.596 -179.436 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 90.9 m-20 -60.01 -34.94 74.03 Favored 'General case' 0 C--N 1.332 -0.17 0 C-N-CA 120.429 -0.508 . . . . 0.0 110.425 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -64.77 -34.89 79.42 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.721 -0.392 . . . . 0.0 110.352 179.328 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 60.0 mt-10 -69.78 -48.73 58.13 Favored 'General case' 0 N--CA 1.448 -0.56 0 C-N-CA 120.469 -0.492 . . . . 0.0 110.193 179.104 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 92.4 t -65.56 -47.11 87.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 C-N-CA 120.51 -0.476 . . . . 0.0 110.262 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 93.8 mt-10 -59.89 -40.87 90.19 Favored 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 120.476 -0.489 . . . . 0.0 110.444 179.834 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 78.1 mm-40 -67.47 -40.01 85.31 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 120.565 -0.454 . . . . 0.0 110.688 179.296 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 32.8 tpp -65.23 -42.84 93.02 Favored 'General case' 0 N--CA 1.448 -0.555 0 C-N-CA 120.72 -0.392 . . . . 0.0 110.299 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . 0.458 HG23 HG23 ' A' ' 136' ' ' VAL . 67.4 mt -64.2 -44.73 97.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-O 121.217 0.532 . . . . 0.0 110.017 179.039 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 36.2 mmtm -62.01 -41.97 98.65 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.406 179.506 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 81.9 tt0 -70.33 -36.01 73.98 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.946 0.403 . . . . 0.0 110.777 179.293 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -75.46 -30.72 60.05 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.981 -179.353 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . 0.4 ' OD1' ' OE1' ' A' ' 140' ' ' GLU . 4.8 m-20 -73.41 114.92 12.17 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.325 -0.55 . . . . 0.0 111.5 -178.567 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 10.7 tp -84.8 -26.17 27.68 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.218 179.62 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . 0.412 ' O ' ' C ' ' A' ' 132' ' ' GLY . 20.6 p30 -100.75 10.79 40.71 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.939 -0.304 . . . . 0.0 111.422 -179.084 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . 0.412 ' C ' ' O ' ' A' ' 131' ' ' ASP . . . 40.17 51.19 3.57 Favored Glycine 0 CA--C 1.528 0.891 0 C-N-CA 120.252 -0.975 . . . . 0.0 111.383 -179.894 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . 0.503 ' OD1' ' N ' ' A' ' 134' ' ' GLY . 41.9 p-10 -97.1 -15.91 20.75 Favored 'General case' 0 C--O 1.23 0.077 0 O-C-N 122.236 -0.567 . . . . 0.0 110.356 179.688 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . 0.503 ' N ' ' OD1' ' A' ' 133' ' ' ASP . . . 94.05 -11.0 71.41 Favored Glycine 0 C--N 1.33 0.225 0 N-CA-C 110.031 -1.228 . . . . 0.0 110.031 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . 0.444 ' H ' ' CG ' ' A' ' 133' ' ' ASP . 8.6 mt-30 -112.55 134.05 54.29 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-O 120.578 0.227 . . . . 0.0 110.509 -179.027 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . 0.458 HG23 HG23 ' A' ' 125' ' ' ILE . 48.5 t -81.01 110.11 16.13 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.255 0 N-CA-C 108.366 -0.976 . . . . 0.0 108.366 178.507 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 47.7 p30 -90.12 169.49 11.12 Favored 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 120.814 -0.354 . . . . 0.0 110.325 -179.655 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 79.1 t80 -56.61 -45.83 81.25 Favored 'General case' 0 CA--C 1.531 0.25 0 C-N-CA 120.606 -0.437 . . . . 0.0 111.055 -178.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 35.9 tp10 -56.87 -44.89 82.67 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-O 120.841 0.353 . . . . 0.0 111.056 -179.448 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . 0.4 ' OE1' ' OD1' ' A' ' 129' ' ' ASP . 29.6 mt-10 -72.82 -34.41 66.82 Favored 'General case' 0 C--N 1.313 -0.986 0 C-N-CA 120.251 -0.58 . . . . 0.0 109.899 178.9 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 71.5 t80 -64.21 -55.49 21.29 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 120.025 -0.67 . . . . 0.0 109.449 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . 0.535 HG13 ' N ' ' A' ' 143' ' ' LYS . 10.5 p -59.43 -43.88 91.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.062 -179.593 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 143' ' ' LYS . . . . . 0.535 ' N ' HG13 ' A' ' 142' ' ' VAL . 64.9 tttm -60.17 -50.77 72.35 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.533 -0.758 . . . . 0.0 109.729 179.187 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 16.3 tmm? -61.39 -37.05 82.02 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.515 0.674 . . . . 0.0 109.364 178.55 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 60.8 tpp -67.74 -40.38 84.16 Favored 'General case' 0 N--CA 1.443 -0.822 0 CA-C-N 115.33 -0.85 . . . . 0.0 109.854 -179.574 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 1.6 ttp -61.39 -34.08 74.74 Favored 'General case' 0 N--CA 1.452 -0.373 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 179.607 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 11.7 m -57.51 -72.13 0.09 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.6 -179.491 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 71.3 t -61.85 -45.41 98.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.281 179.713 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 24.0 mmm180 . . . . . 0 C--O 1.22 -0.449 0 CA-C-O 117.908 -1.044 . . . . 0.0 110.482 179.747 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 221' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 234' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 90.1 m-20 . . . . . 0 N--CA 1.491 1.603 0 N-CA-C 110.013 -0.366 . . . . 0.0 110.013 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -52.91 -48.41 67.27 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.189 -0.605 . . . . 0.0 109.822 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 42.1 tp10 -60.88 -29.91 69.84 Favored 'General case' 0 N--CA 1.451 -0.377 0 C-N-CA 120.745 -0.382 . . . . 0.0 110.37 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 83.1 tt0 -74.66 -64.34 1.06 Allowed 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.573 -0.899 . . . . 0.0 108.573 178.279 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 45.1 tt0 -46.07 -45.87 16.47 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.76 -0.376 . . . . 0.0 110.169 179.724 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.689 ' O ' HD23 ' A' ' 85' ' ' LEU . 4.2 tt -60.49 -45.95 91.88 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.11 -0.636 . . . . 0.0 110.382 -179.651 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 50.5 mtpt -59.74 -39.11 83.63 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 120.359 -0.536 . . . . 0.0 110.348 179.526 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 80.4 tt0 -68.3 -50.4 53.79 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.507 -0.477 . . . . 0.0 110.116 179.467 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -55.18 -49.93 70.64 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.472 -0.491 . . . . 0.0 109.848 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.532 ' CD2' HD11 ' A' ' 100' ' ' ILE . 37.7 t80 -56.27 -44.07 79.41 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.895 -0.409 . . . . 0.0 109.895 179.264 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 63.8 tttp -59.75 -33.16 71.31 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.678 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 77.1 t -69.58 -44.77 79.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 C-N-CA 120.618 -0.433 . . . . 0.0 110.843 179.601 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -64.82 -34.62 78.8 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.485 -0.486 . . . . 0.0 110.539 -179.645 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.517 ' OD2' ' N ' ' A' ' 98' ' ' GLY . 28.2 t0 -71.53 63.64 0.41 Allowed 'General case' 0 C--N 1.323 -0.567 0 C-N-CA 120.471 -0.492 . . . . 0.0 110.651 -179.25 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 57.6 tttp -47.29 -47.23 25.35 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 120.448 -0.501 . . . . 0.0 110.464 -179.201 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . 0.452 ' OD2' ' ND2' ' A' ' 97' ' ' ASN . 48.5 p-10 -74.91 -3.64 33.29 Favored 'General case' 0 C--N 1.325 -0.472 0 C-N-CA 120.837 -0.345 . . . . 0.0 110.451 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . 0.421 ' N ' ' O ' ' A' ' 93' ' ' ASP . 85.9 mt-30 48.73 38.29 11.37 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.157 -179.604 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . 0.452 ' ND2' ' OD2' ' A' ' 95' ' ' ASP . 53.0 p-10 -90.29 7.27 39.23 Favored 'General case' 0 N--CA 1.464 0.253 0 C-N-CA 120.741 -0.383 . . . . 0.0 111.312 -179.272 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . 0.517 ' N ' ' OD2' ' A' ' 93' ' ' ASP . . . 81.1 -6.12 64.24 Favored Glycine 0 CA--C 1.526 0.726 0 N-CA-C 111.373 -0.691 . . . . 0.0 111.373 179.755 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 41.2 m-85 -125.42 169.84 11.97 Favored 'General case' 0 N--CA 1.469 0.488 0 N-CA-C 109.798 -0.445 . . . . 0.0 109.798 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.532 HD11 ' CD2' ' A' ' 89' ' ' PHE . 78.4 mt -120.8 130.35 74.69 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.43 0 N-CA-C 109.029 -0.73 . . . . 0.0 109.029 178.673 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 86.5 p -104.92 155.23 19.13 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.551 -179.474 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -51.92 -39.16 58.67 Favored 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 120.392 -0.523 . . . . 0.0 109.896 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 80.6 p -60.63 -43.03 97.99 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 120.729 -0.388 . . . . 0.0 110.435 179.497 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -69.21 -40.35 78.03 Favored 'General case' 0 N--CA 1.443 -0.823 0 O-C-N 121.881 -0.512 . . . . 0.0 110.479 179.419 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 36.1 tp -65.0 -43.09 93.67 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 120.822 -0.351 . . . . 0.0 110.8 179.725 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.477 ' CG ' ' N ' ' A' ' 107' ' ' HIS . 12.2 ptt180 -61.05 -46.38 90.91 Favored 'General case' 0 C--N 1.323 -0.586 0 C-N-CA 120.168 -0.613 . . . . 0.0 109.956 -179.736 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . 0.477 ' N ' ' CG ' ' A' ' 106' ' ' ARG . 18.9 t-80 -57.96 -43.02 86.21 Favored 'General case' 0 N--CA 1.452 -0.364 0 N-CA-C 108.902 -0.777 . . . . 0.0 108.902 -178.628 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 69.5 t -64.44 -43.93 97.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.095 178.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 15.6 mmt -60.5 -41.97 95.41 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.558 -0.457 . . . . 0.0 110.244 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 96.9 mt -63.88 -44.1 97.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 N-CA-C 109.751 -0.463 . . . . 0.0 109.751 179.122 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 6.5 t-20 -63.19 -32.82 74.31 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.96 -0.385 . . . . 0.0 109.96 179.496 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 52.6 mt -76.17 -2.65 32.17 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.099 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 84.54 11.53 77.37 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.897 -0.881 . . . . 0.0 110.897 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -108.68 125.06 51.48 Favored 'General case' 0 N--CA 1.466 0.37 0 N-CA-C 109.866 -0.42 . . . . 0.0 109.866 179.817 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.519 ' H ' ' HD2' ' A' ' 115' ' ' LYS . 0.0 OUTLIER -125.69 102.94 7.56 Favored 'General case' 0 N--CA 1.468 0.464 0 N-CA-C 110.041 -0.355 . . . . 0.0 110.041 -179.141 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 4.2 mp -105.33 154.49 20.21 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.938 -0.393 . . . . 0.0 109.938 179.708 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 66.1 p -66.41 162.45 20.43 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.145 -0.622 . . . . 0.0 109.532 -179.759 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -62.0 -38.77 89.87 Favored 'General case' 0 C--O 1.233 0.197 0 C-N-CA 120.303 -0.559 . . . . 0.0 110.561 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -56.84 -34.95 68.29 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.63 -0.428 . . . . 0.0 110.576 179.813 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -73.51 -48.68 31.37 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 120.467 -0.493 . . . . 0.0 110.1 179.115 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 79.0 t -64.67 -44.22 96.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 C-N-CA 120.578 -0.449 . . . . 0.0 110.182 179.405 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 46.3 tp10 -63.88 -37.97 89.35 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.651 -0.419 . . . . 0.0 110.098 179.826 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 59.1 tt0 -71.31 -41.93 69.28 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.722 -0.391 . . . . 0.0 110.446 179.472 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 43.4 ttp -64.16 -42.33 96.78 Favored 'General case' 0 N--CA 1.45 -0.467 0 C-N-CA 120.846 -0.342 . . . . 0.0 110.272 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 4.8 mm -63.78 -45.55 96.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 121.24 0.543 . . . . 0.0 109.821 179.309 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 67.1 mmtt -66.27 -41.47 89.82 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.89 179.154 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 37.6 tp10 -72.91 -35.31 67.04 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.124 179.782 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -71.68 -32.15 67.55 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.264 -179.296 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . 0.552 ' OD2' ' N ' ' A' ' 133' ' ' ASP . 20.9 t70 -74.74 119.91 19.56 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.019 0.438 . . . . 0.0 111.621 -178.619 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 45.0 tp -86.6 -24.11 25.5 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.833 -0.622 . . . . 0.0 111.605 179.653 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 41.5 p-10 -103.42 10.05 37.49 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 121.002 -0.279 . . . . 0.0 111.464 -178.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . 0.476 ' CA ' ' OD2' ' A' ' 129' ' ' ASP . . . 44.49 29.22 1.74 Allowed Glycine 0 CA--C 1.531 1.092 0 C-N-CA 120.269 -0.967 . . . . 0.0 111.249 179.758 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . 0.552 ' N ' ' OD2' ' A' ' 129' ' ' ASP . 17.1 p-10 -73.65 -17.77 61.11 Favored 'General case' 0 C--O 1.231 0.131 0 CA-C-N 117.054 0.427 . . . . 0.0 110.428 179.586 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 98.43 -7.48 61.75 Favored Glycine 0 C--N 1.33 0.195 0 N-CA-C 110.26 -1.136 . . . . 0.0 110.26 179.833 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . 0.404 ' H ' ' CG ' ' A' ' 133' ' ' ASP . 3.4 mt-30 -124.6 141.53 52.03 Favored 'General case' 0 N--CA 1.452 -0.375 0 CA-C-O 120.541 0.21 . . . . 0.0 110.555 -178.75 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 22.7 t -80.65 121.56 34.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 N-CA-C 108.524 -0.917 . . . . 0.0 108.524 178.664 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 64.1 t30 -96.35 166.68 11.6 Favored 'General case' 0 N--CA 1.47 0.536 0 N-CA-C 110.187 -0.301 . . . . 0.0 110.187 179.376 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 43.6 t80 -46.82 -52.25 14.65 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 120.598 -0.441 . . . . 0.0 111.019 -178.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 83.6 tt0 -58.71 -44.4 90.35 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.656 -0.418 . . . . 0.0 111.299 -179.337 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 71.6 mt-10 -63.5 -41.01 98.54 Favored 'General case' 0 C--N 1.32 -0.68 0 C-N-CA 120.26 -0.576 . . . . 0.0 110.274 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . 0.476 ' O ' ' N ' ' A' ' 145' ' ' MET . 56.6 t80 -63.89 -48.95 74.61 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 178.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 56.8 t -58.87 -47.38 89.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 N-CA-C 109.127 -0.694 . . . . 0.0 109.127 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 62.6 tttm -63.82 -48.31 77.35 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.94 -0.573 . . . . 0.0 109.844 179.414 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 47.7 ttp -63.1 -43.28 98.91 Favored 'General case' 0 CA--C 1.515 -0.383 0 CA-C-O 121.463 0.649 . . . . 0.0 109.527 178.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . 0.476 ' N ' ' O ' ' A' ' 141' ' ' PHE . 8.1 tmm? -62.62 -37.93 88.25 Favored 'General case' 0 C--N 1.314 -0.936 0 CA-C-N 115.112 -0.949 . . . . 0.0 110.125 -179.581 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 40.4 mtt -65.99 -40.6 91.34 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.159 179.273 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 26.0 m -56.69 -17.68 9.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.501 -179.518 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 148' ' ' VAL . . . . . 0.407 HG23 ' O ' ' A' ' 145' ' ' MET . 93.5 t -56.19 -47.0 81.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.271 -179.469 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 61.7 ttp180 . . . . . 0 C--N 1.323 -0.549 0 CA-C-O 118.01 -0.995 . . . . 0.0 110.473 179.212 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 221' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 234' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 86.7 m-20 . . . . . 0 N--CA 1.49 1.573 0 N-CA-C 110.109 -0.33 . . . . 0.0 110.109 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -53.33 -47.43 69.34 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 120.293 -0.563 . . . . 0.0 109.849 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.446 ' OE1' ' O ' ' A' ' 82' ' ' GLU . 3.7 tm-20 -63.37 -34.01 76.79 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 120.622 -0.431 . . . . 0.0 110.823 179.498 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -71.69 -68.08 0.48 Allowed 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 178.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 40.5 tp10 -47.3 -43.0 22.14 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 120.699 -0.4 . . . . 0.0 110.222 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 7.0 tt -62.94 -44.03 97.18 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.399 -0.52 . . . . 0.0 110.476 179.518 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -61.28 -35.82 78.36 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 120.55 -0.46 . . . . 0.0 109.898 179.701 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 82.4 tt0 -67.68 -50.57 57.02 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 109.724 -0.473 . . . . 0.0 109.724 179.438 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -52.76 -45.99 67.31 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 54.7 t80 -55.88 -43.09 76.86 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.664 -0.495 . . . . 0.0 109.664 179.419 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -62.62 -32.39 73.41 Favored 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 120.75 -0.38 . . . . 0.0 110.534 179.509 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 70.4 t -69.51 -48.52 65.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 C-N-CA 120.515 -0.474 . . . . 0.0 110.786 179.44 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -64.54 -32.29 73.87 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.498 -0.481 . . . . 0.0 110.129 179.771 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 63.6 t0 -76.18 57.78 1.16 Allowed 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 120.557 -0.457 . . . . 0.0 110.706 -179.391 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -52.21 -44.91 65.02 Favored 'General case' 0 C--O 1.234 0.255 0 C-N-CA 120.305 -0.558 . . . . 0.0 110.043 -179.584 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . 0.453 ' OD2' ' OE2' ' A' ' 104' ' ' GLU . 5.4 m-20 -65.94 -9.12 26.9 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.827 -0.435 . . . . 0.0 109.827 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 99.0 mm-40 53.31 20.14 1.81 Allowed 'General case' 0 C--N 1.324 -0.5 0 C-N-CA 120.493 -0.483 . . . . 0.0 110.292 -179.749 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 46.5 p-10 -77.55 -0.87 27.94 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 120.8 -0.36 . . . . 0.0 111.221 -179.185 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 83.79 -0.62 89.45 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 111.391 -0.683 . . . . 0.0 111.391 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.497 ' CE2' ' OD1' ' A' ' 137' ' ' ASN . 50.3 m-85 -135.03 139.6 44.94 Favored 'General case' 0 N--CA 1.465 0.296 0 O-C-N 122.695 -0.297 . . . . 0.0 110.331 -179.767 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.407 HD13 HG21 ' A' ' 100' ' ' ILE . 14.2 mt -88.22 131.3 36.12 Favored 'Isoleucine or valine' 0 C--O 1.238 0.493 0 N-CA-C 108.686 -0.857 . . . . 0.0 108.686 178.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 44.2 t -103.06 159.49 15.47 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.795 -179.172 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -52.16 -41.35 62.51 Favored 'General case' 0 C--O 1.234 0.255 0 C-N-CA 120.297 -0.561 . . . . 0.0 109.988 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 92.8 p -57.01 -39.86 75.55 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 120.76 -0.376 . . . . 0.0 110.363 179.753 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.453 ' OE2' ' OD2' ' A' ' 95' ' ' ASP . 92.1 mt-10 -73.17 -38.56 66.14 Favored 'General case' 0 N--CA 1.441 -0.875 0 C-N-CA 120.48 -0.488 . . . . 0.0 110.256 179.123 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.564 HD13 ' O ' ' A' ' 105' ' ' LEU . 0.2 OUTLIER -61.0 -45.8 93.36 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.487 -0.485 . . . . 0.0 110.756 -179.42 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.437 ' HG3' ' N ' ' A' ' 107' ' ' HIS . 41.1 ptt180 -69.15 -42.48 75.88 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 120.348 -0.541 . . . . 0.0 110.401 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . 0.437 ' N ' ' HG3' ' A' ' 106' ' ' ARG . 9.3 t-80 -56.86 -40.95 77.09 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 -179.707 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.417 HG23 ' O ' ' A' ' 104' ' ' GLU . 65.2 t -65.17 -43.03 95.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 C-N-CA 120.733 -0.387 . . . . 0.0 110.119 178.797 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 17.2 mmt -59.76 -40.8 89.39 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.61 -0.436 . . . . 0.0 110.125 -179.757 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 97.6 mt -65.47 -44.02 94.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 C-N-CA 120.366 -0.533 . . . . 0.0 109.988 178.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 16.4 t30 -58.96 -30.55 68.0 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.922 -0.399 . . . . 0.0 109.922 179.701 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.413 HD13 ' O ' ' A' ' 108' ' ' VAL . 8.6 mp -82.64 0.28 43.83 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.851 179.392 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 81.89 18.1 68.5 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 -179.846 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -119.82 136.95 54.27 Favored 'General case' 0 N--CA 1.466 0.366 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 179.814 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.417 ' C ' HD22 ' A' ' 116' ' ' LEU . 16.3 pttp -123.8 106.9 10.86 Favored 'General case' 0 N--CA 1.469 0.478 0 N-CA-C 110.086 -0.339 . . . . 0.0 110.086 -179.796 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.656 HD22 ' N ' ' A' ' 116' ' ' LEU . 3.4 mm? -90.59 153.19 20.52 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.85 -0.426 . . . . 0.0 109.85 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 17.0 p -70.68 158.28 36.51 Favored 'General case' 0 C--N 1.331 -0.197 0 C-N-CA 119.981 -0.688 . . . . 0.0 109.48 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -63.35 -41.41 98.85 Favored 'General case' 0 C--N 1.332 -0.188 0 C-N-CA 120.379 -0.528 . . . . 0.0 110.575 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -68.06 -29.97 69.06 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.796 -0.362 . . . . 0.0 110.609 179.669 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 33.8 tp10 -73.81 -48.14 33.52 Favored 'General case' 0 N--CA 1.449 -0.523 0 C-N-CA 120.607 -0.437 . . . . 0.0 110.147 179.384 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 71.1 t -62.42 -47.37 93.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 N-CA-C 109.619 -0.511 . . . . 0.0 109.619 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 75.7 mm-40 -58.95 -35.82 73.78 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.563 -0.455 . . . . 0.0 109.971 179.261 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -62.15 -48.05 81.81 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.46 -0.496 . . . . 0.0 110.419 179.451 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . 0.44 ' O ' ' N ' ' A' ' 128' ' ' ALA . 58.4 mtm -65.11 -39.8 93.62 Favored 'General case' 0 N--CA 1.449 -0.483 0 C-N-CA 120.803 -0.359 . . . . 0.0 110.245 179.313 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 4.3 mm -63.02 -46.22 96.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 C-N-CA 120.375 -0.53 . . . . 0.0 109.64 179.266 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -69.42 -39.17 78.04 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.893 178.78 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 34.6 tp10 -73.93 -35.99 64.64 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.993 -0.548 . . . . 0.0 111.243 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.44 ' N ' ' O ' ' A' ' 124' ' ' MET . . . -75.46 -28.16 59.17 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.283 -179.049 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . 0.436 ' OD1' ' OD1' ' A' ' 133' ' ' ASP . 38.4 t0 -72.57 111.89 8.14 Favored 'General case' 0 C--N 1.322 -0.619 0 C-N-CA 120.462 -0.495 . . . . 0.0 111.98 -178.867 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.554 ' H ' ' CD ' ' A' ' 140' ' ' GLU . 8.7 tp -88.43 -23.66 23.24 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.196 179.418 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 31.9 m-20 -89.44 2.26 54.74 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.882 -0.327 . . . . 0.0 111.276 -178.724 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 58.21 5.03 2.08 Favored Glycine 0 CA--C 1.529 0.966 0 C-N-CA 120.28 -0.962 . . . . 0.0 111.111 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . 0.436 ' OD1' ' OD1' ' A' ' 129' ' ' ASP . 35.0 p-10 -67.89 -16.9 64.3 Favored 'General case' 0 N--CA 1.461 0.121 0 CA-C-N 117.215 0.508 . . . . 0.0 110.39 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 87.98 7.19 74.48 Favored Glycine 0 C--N 1.33 0.198 0 N-CA-C 110.169 -1.172 . . . . 0.0 110.169 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -121.67 143.74 49.17 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 110.423 -0.214 . . . . 0.0 110.423 -179.079 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 14.6 t -83.56 115.41 25.82 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.305 0 N-CA-C 108.619 -0.882 . . . . 0.0 108.619 178.717 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . 0.497 ' OD1' ' CE2' ' A' ' 99' ' ' TYR . 62.0 t30 -96.65 167.34 11.18 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 120.884 -0.326 . . . . 0.0 110.266 179.78 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 77.7 t80 -48.07 -52.33 20.7 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 120.791 -0.363 . . . . 0.0 110.62 -178.754 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 80.0 tt0 -58.94 -44.16 91.32 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.642 -0.423 . . . . 0.0 111.175 -179.376 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . 0.554 ' CD ' ' H ' ' A' ' 130' ' ' LEU . 75.7 mt-10 -65.7 -41.02 92.84 Favored 'General case' 0 C--N 1.32 -0.714 0 C-N-CA 120.134 -0.626 . . . . 0.0 110.389 179.814 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 58.4 t80 -63.67 -50.71 68.19 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.224 -0.591 . . . . 0.0 109.528 179.303 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 53.6 t -59.38 -45.44 93.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 115.927 -0.579 . . . . 0.0 109.445 179.681 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 26.2 tptp -61.23 -49.92 75.16 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.878 179.429 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 16.2 tmm? -62.34 -39.38 92.93 Favored 'General case' 0 CA--C 1.512 -0.493 0 CA-C-O 121.41 0.624 . . . . 0.0 109.462 178.606 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 33.6 ttm -67.44 -40.43 85.46 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.256 -0.883 . . . . 0.0 109.944 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 2.9 mmt -62.09 -36.26 81.16 Favored 'General case' 0 N--CA 1.45 -0.444 0 N-CA-C 109.964 -0.384 . . . . 0.0 109.964 179.438 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 96.5 m -57.78 -72.63 0.08 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.357 -179.459 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 32.2 m -66.76 -14.1 17.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.388 179.605 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 83.4 mtp180 . . . . . 0 C--O 1.223 -0.328 0 CA-C-O 117.903 -1.046 . . . . 0.0 110.245 179.919 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 221' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 234' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 67.1 t0 . . . . . 0 N--CA 1.493 1.699 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -48.71 -42.64 35.7 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.278 -0.569 . . . . 0.0 109.826 -179.848 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.522 ' OE1' ' NZ ' ' A' ' 86' ' ' LYS . 3.9 tm-20 -68.98 -41.04 78.4 Favored 'General case' 0 C--N 1.332 -0.183 0 C-N-CA 120.591 -0.443 . . . . 0.0 110.56 179.192 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 81.3 tt0 -53.24 -70.29 0.09 Allowed 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 108.15 -1.055 . . . . 0.0 108.15 178.801 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -45.24 -33.47 2.37 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.677 -0.409 . . . . 0.0 110.261 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.661 ' O ' HD23 ' A' ' 85' ' ' LEU . 2.4 tt -61.19 -45.05 96.19 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 120.243 -0.583 . . . . 0.0 110.304 -179.834 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.522 ' NZ ' ' OE1' ' A' ' 82' ' ' GLU . 58.5 mttp -63.08 -40.12 96.73 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 120.37 -0.532 . . . . 0.0 110.361 179.016 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 82.5 tt0 -68.76 -51.95 35.74 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.592 -0.443 . . . . 0.0 109.956 179.679 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -53.16 -45.1 68.31 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 120.508 -0.477 . . . . 0.0 109.735 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 70.3 t80 -58.2 -43.11 87.43 Favored 'General case' 0 N--CA 1.453 -0.28 0 C-N-CA 120.87 -0.332 . . . . 0.0 110.114 179.117 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -64.23 -32.56 74.2 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.897 -0.321 . . . . 0.0 110.655 179.468 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 97.2 t -81.93 -25.88 9.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 C-N-CA 120.678 -0.409 . . . . 0.0 110.678 179.544 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -64.64 -33.67 76.48 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.491 -0.484 . . . . 0.0 110.511 179.615 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.549 ' OD2' ' N ' ' A' ' 98' ' ' GLY . 21.6 t0 -82.59 75.26 9.5 Favored 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 120.382 -0.527 . . . . 0.0 110.902 -178.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 64.6 tttp -47.27 -42.91 21.62 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.433 -0.507 . . . . 0.0 109.857 -179.71 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -71.89 -7.47 48.69 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.894 -0.322 . . . . 0.0 110.23 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . 0.533 ' N ' ' O ' ' A' ' 93' ' ' ASP . 14.8 mm100 54.72 32.84 18.21 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.248 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 9.3 m120 -86.28 4.38 39.2 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.614 -0.435 . . . . 0.0 111.032 -179.564 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . 0.549 ' N ' ' OD2' ' A' ' 93' ' ' ASP . . . 76.3 -8.17 26.79 Favored Glycine 0 CA--C 1.528 0.845 0 N-CA-C 110.917 -0.873 . . . . 0.0 110.917 -179.558 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 28.0 m-85 -127.15 135.66 51.02 Favored 'General case' 0 N--CA 1.469 0.505 0 O-C-N 122.582 -0.363 . . . . 0.0 110.102 179.675 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 4.3 mt -83.09 122.99 38.23 Favored 'Isoleucine or valine' 0 C--O 1.238 0.467 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 179.161 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 38.5 t -100.29 165.48 11.45 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.67 -179.275 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -54.38 -44.96 72.7 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.299 -0.561 . . . . 0.0 109.937 179.657 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 72.7 m -57.38 -39.87 76.98 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.808 -0.357 . . . . 0.0 110.45 179.568 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.421 ' OE2' ' OD1' ' A' ' 93' ' ' ASP . 77.3 mt-10 -74.13 -39.18 63.49 Favored 'General case' 0 N--CA 1.44 -0.93 0 O-C-N 121.899 -0.501 . . . . 0.0 110.165 179.436 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.557 HD13 ' O ' ' A' ' 105' ' ' LEU . 0.2 OUTLIER -59.84 -46.82 88.07 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 120.534 -0.466 . . . . 0.0 110.295 -179.591 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.4 ' HG3' ' N ' ' A' ' 107' ' ' HIS . 16.9 ptm180 -69.99 -41.3 74.57 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 120.304 -0.558 . . . . 0.0 110.289 179.656 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . 0.4 ' N ' ' HG3' ' A' ' 106' ' ' ARG . 11.7 t-80 -57.0 -45.18 83.18 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 -179.757 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 73.9 t -64.62 -42.48 95.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 C-N-CA 120.635 -0.426 . . . . 0.0 110.263 178.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 7.4 mmt -61.69 -42.4 98.87 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 120.579 -0.448 . . . . 0.0 110.08 -179.645 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 96.7 mt -64.84 -44.51 96.31 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 C-N-CA 120.461 -0.496 . . . . 0.0 109.984 179.186 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . 0.401 ' OD1' ' O ' ' A' ' 111' ' ' ASN . 20.7 t-20 -62.57 -32.36 73.33 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 179.556 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 48.7 mt -78.69 -1.06 32.61 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.043 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 83.12 15.25 72.66 Favored Glycine 0 CA--C 1.525 0.717 0 N-CA-C 110.88 -0.888 . . . . 0.0 110.88 -179.828 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 73.2 mt-10 -116.53 133.25 56.23 Favored 'General case' 0 N--CA 1.466 0.344 0 N-CA-C 109.928 -0.397 . . . . 0.0 109.928 179.662 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.54 112.98 9.97 Favored 'General case' 0 N--CA 1.467 0.421 0 N-CA-C 110.034 -0.358 . . . . 0.0 110.034 -179.883 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.905 HD22 ' N ' ' A' ' 116' ' ' LEU . 0.8 OUTLIER -103.14 158.31 16.39 Favored 'General case' 0 N--CA 1.466 0.373 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 -179.857 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . 0.417 HG22 ' N ' ' A' ' 118' ' ' ASP . 12.2 m -63.26 161.8 13.19 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.112 -0.635 . . . . 0.0 109.415 -179.389 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . 0.417 ' N ' HG22 ' A' ' 117' ' ' THR . 47.5 t0 -61.46 -37.56 84.04 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 120.453 -0.499 . . . . 0.0 110.467 -179.767 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -67.09 -30.95 71.13 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.736 -0.386 . . . . 0.0 110.608 179.301 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 56.0 mt-10 -70.58 -46.35 63.62 Favored 'General case' 0 N--CA 1.452 -0.334 0 C-N-CA 120.537 -0.465 . . . . 0.0 110.148 179.298 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 85.8 t -62.38 -48.19 89.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 C-N-CA 120.621 -0.432 . . . . 0.0 110.235 179.685 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -59.17 -39.41 82.39 Favored 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 120.665 -0.414 . . . . 0.0 110.125 179.665 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 -63.92 -47.75 79.31 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.576 -0.45 . . . . 0.0 110.59 179.539 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . 0.436 ' O ' ' N ' ' A' ' 128' ' ' ALA . 74.7 mtm -64.16 -41.92 96.94 Favored 'General case' 0 N--CA 1.449 -0.487 0 C-N-CA 120.679 -0.408 . . . . 0.0 110.224 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 4.4 mm -64.16 -45.28 96.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 C-N-CA 120.484 -0.486 . . . . 0.0 109.731 179.314 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 27.4 mmtp -68.33 -42.22 79.64 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.788 179.201 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 79.3 tt0 -72.82 -36.33 67.49 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.992 179.791 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.436 ' N ' ' O ' ' A' ' 124' ' ' MET . . . -71.73 -32.63 67.96 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.051 -179.425 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . 0.452 ' OD1' ' OD1' ' A' ' 133' ' ' ASP . 32.0 t0 -68.65 109.48 3.81 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.012 0.434 . . . . 0.0 111.769 -178.72 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.545 ' N ' ' OE2' ' A' ' 140' ' ' GLU . 48.3 tp -89.94 -30.41 17.86 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.558 179.229 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . 0.464 ' OD2' ' ND2' ' A' ' 137' ' ' ASN . 39.9 m-20 -78.39 -11.46 59.95 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 120.862 -0.335 . . . . 0.0 111.519 -178.425 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 70.03 25.18 75.93 Favored Glycine 0 CA--C 1.529 0.91 0 C-N-CA 120.328 -0.939 . . . . 0.0 111.366 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . 0.452 ' OD1' ' OD1' ' A' ' 129' ' ' ASP . 41.3 p-10 -94.56 -15.93 23.68 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 117.111 0.455 . . . . 0.0 110.246 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 91.59 0.97 71.86 Favored Glycine 0 C--N 1.33 0.231 0 N-CA-C 110.386 -1.086 . . . . 0.0 110.386 179.851 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 13.7 mt-30 -117.04 138.55 51.52 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.577 0.227 . . . . 0.0 110.564 -179.022 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 40.7 t -86.72 109.48 19.07 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.305 0 N-CA-C 108.419 -0.956 . . . . 0.0 108.419 178.328 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . 0.464 ' ND2' ' OD2' ' A' ' 131' ' ' ASP . 55.0 p30 -95.59 175.95 6.35 Favored 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 120.896 -0.322 . . . . 0.0 110.186 -179.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . 0.433 ' O ' HG12 ' A' ' 142' ' ' VAL . 63.1 t80 -51.7 -43.32 62.73 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.618 -0.433 . . . . 0.0 110.977 -179.155 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 14.1 tm-20 -60.33 -49.28 78.21 Favored 'General case' 0 N--CA 1.466 0.327 0 C-N-CA 120.64 -0.424 . . . . 0.0 111.019 -179.37 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . 0.545 ' OE2' ' N ' ' A' ' 130' ' ' LEU . 39.3 mt-10 -68.16 -39.42 82.59 Favored 'General case' 0 C--N 1.313 -0.99 0 C-N-CA 120.129 -0.628 . . . . 0.0 109.849 179.569 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 72.8 t80 -63.54 -55.14 26.25 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.131 -0.628 . . . . 0.0 110.188 -179.416 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . 0.554 HG13 ' N ' ' A' ' 143' ' ' LYS . 8.2 p -59.09 -44.78 92.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.65 -179.432 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 143' ' ' LYS . . . . . 0.554 ' N ' HG13 ' A' ' 142' ' ' VAL . 88.5 tttt -61.43 -50.08 74.25 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.704 179.348 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 44.0 ttp -61.33 -39.54 90.92 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.423 0.63 . . . . 0.0 109.335 178.833 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . 0.457 ' O ' ' N ' ' A' ' 149' ' ' ARG . 36.8 ttm -64.51 -39.53 93.95 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.127 -0.942 . . . . 0.0 109.966 -179.767 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 89.5 mtp -63.17 -38.83 92.72 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 110.016 -0.365 . . . . 0.0 110.016 179.369 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 25.3 m -60.72 -72.14 0.12 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.403 -179.711 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 84.7 t -64.5 -45.35 95.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.517 179.606 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 149' ' ' ARG . . . . . 0.457 ' N ' ' O ' ' A' ' 145' ' ' MET . 78.1 ttt180 . . . . . 0 C--O 1.22 -0.466 0 CA-C-O 117.967 -1.016 . . . . 0.0 110.12 179.752 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 221' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 234' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 89.1 m-20 . . . . . 0 N--CA 1.491 1.618 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -56.07 -49.53 73.51 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.372 -0.531 . . . . 0.0 109.868 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -65.06 -36.24 83.72 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.69 -0.404 . . . . 0.0 110.714 179.626 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 80.4 tt0 -66.67 -69.31 0.31 Allowed 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 178.86 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 51.8 tp10 -46.94 -38.12 10.08 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.716 -0.394 . . . . 0.0 110.367 -179.774 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 54.1 tp -60.9 -46.34 91.04 Favored 'General case' 0 C--N 1.331 -0.208 0 C-N-CA 120.274 -0.571 . . . . 0.0 110.36 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 15.5 mmmt -62.04 -38.97 90.76 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.516 -0.474 . . . . 0.0 110.326 179.647 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 47.0 tp10 -67.89 -52.57 34.95 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.557 -0.457 . . . . 0.0 110.114 179.626 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -52.02 -44.21 64.06 Favored 'General case' 0 N--CA 1.455 -0.225 0 N-CA-C 109.736 -0.468 . . . . 0.0 109.736 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 78.8 t80 -57.35 -45.89 83.89 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 179.46 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 65.0 mmtt -60.55 -33.46 72.71 Favored 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 120.779 -0.368 . . . . 0.0 110.695 179.252 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 97.1 t -72.57 -41.72 63.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 120.921 0.391 . . . . 0.0 110.478 179.139 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -60.21 -35.99 76.66 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.644 -0.422 . . . . 0.0 110.333 -179.458 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 38.1 t0 -70.59 77.89 0.59 Allowed 'General case' 0 C--N 1.324 -0.5 0 C-N-CA 120.428 -0.509 . . . . 0.0 110.951 -178.841 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -54.63 -50.19 68.71 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 120.361 -0.535 . . . . 0.0 109.986 -179.727 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . 0.404 ' OD2' ' OE2' ' A' ' 104' ' ' GLU . 4.6 m-20 -73.03 -0.64 14.45 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.953 0.406 . . . . 0.0 110.112 -179.854 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 49.4 tp60 46.2 33.67 1.86 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.01 -179.805 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 47.4 p-10 -88.62 -5.32 58.24 Favored 'General case' 0 N--CA 1.464 0.268 0 C-N-CA 120.719 -0.392 . . . . 0.0 111.322 -179.014 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 95.42 -13.78 66.1 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 12.9 m-85 -122.68 132.66 54.36 Favored 'General case' 0 N--CA 1.47 0.529 0 O-C-N 122.75 -0.264 . . . . 0.0 110.606 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 16.1 mt -82.11 125.6 39.81 Favored 'Isoleucine or valine' 0 C--O 1.232 0.169 0 N-CA-C 108.872 -0.788 . . . . 0.0 108.872 179.195 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 4.2 m -93.65 151.62 19.54 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.489 -179.358 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.458 ' HB1' HH12 ' A' ' 106' ' ' ARG . . . -51.26 -40.32 58.62 Favored 'General case' 0 C--N 1.331 -0.212 0 C-N-CA 120.364 -0.534 . . . . 0.0 109.916 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 69.2 m -60.95 -40.74 94.46 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 120.82 -0.352 . . . . 0.0 110.589 179.446 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.404 ' OE2' ' OD2' ' A' ' 95' ' ' ASP . 79.5 mt-10 -64.64 -39.31 93.47 Favored 'General case' 0 N--CA 1.442 -0.832 0 C-N-CA 120.591 -0.444 . . . . 0.0 110.339 179.626 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.594 HD13 ' O ' ' A' ' 105' ' ' LEU . 0.2 OUTLIER -63.59 -40.67 97.53 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-O 121.229 0.538 . . . . 0.0 109.907 179.824 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.458 HH12 ' HB1' ' A' ' 102' ' ' ALA . 93.4 mtm-85 -61.9 -47.23 85.88 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 120.259 -0.576 . . . . 0.0 110.243 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 25.0 m170 -53.53 -42.56 67.54 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.771 -0.455 . . . . 0.0 109.771 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 90.4 t -64.49 -42.11 94.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.305 -0.407 . . . . 0.0 109.991 179.253 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 19.0 mmt -59.28 -43.7 92.51 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.603 -0.439 . . . . 0.0 110.179 -179.415 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.4 ' N ' HD12 ' A' ' 110' ' ' ILE . 2.0 mp -66.85 -42.79 89.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 C-N-CA 120.548 -0.461 . . . . 0.0 109.823 178.822 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 14.1 t-20 -58.6 -34.17 70.82 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.306 -0.406 . . . . 0.0 109.925 -179.78 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 8.4 mp -81.1 -2.25 47.57 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.063 179.308 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 82.3 18.91 65.63 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.954 -0.859 . . . . 0.0 110.954 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -119.79 135.21 54.95 Favored 'General case' 0 N--CA 1.468 0.45 0 N-CA-C 109.639 -0.504 . . . . 0.0 109.639 179.668 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.424 ' C ' HD22 ' A' ' 116' ' ' LEU . 18.0 pttp -137.76 116.28 12.05 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-O 120.77 0.319 . . . . 0.0 110.335 -179.679 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.898 HD22 ' N ' ' A' ' 116' ' ' LEU . 0.9 OUTLIER -105.9 157.57 17.39 Favored 'General case' 0 N--CA 1.467 0.381 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 -179.972 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 69.1 p -65.47 162.97 16.81 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 120.178 -0.609 . . . . 0.0 109.461 -179.644 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 91.5 m-20 -61.49 -40.46 94.62 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.408 -0.517 . . . . 0.0 110.562 -179.725 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . 0.404 ' OE1' ' N ' ' A' ' 119' ' ' GLU . 56.5 mp0 -59.16 -36.61 75.59 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.687 -0.405 . . . . 0.0 110.692 179.877 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -71.12 -48.28 53.13 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.449 -0.5 . . . . 0.0 110.348 179.159 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 99.4 t -63.36 -47.68 90.81 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.272 0 C-N-CA 120.634 -0.426 . . . . 0.0 110.191 179.71 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -60.48 -40.95 93.16 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.717 -0.393 . . . . 0.0 110.238 179.46 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 48.5 tp60 -66.3 -43.49 86.14 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 120.653 -0.419 . . . . 0.0 110.453 179.495 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 43.3 ttp -60.73 -41.84 96.12 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-O 120.782 0.325 . . . . 0.0 110.536 -179.704 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . 0.447 ' O ' ' OD1' ' A' ' 129' ' ' ASP . 6.7 mm -63.2 -44.55 99.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 N-CA-C 109.577 -0.527 . . . . 0.0 109.577 179.784 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -63.74 -43.4 96.57 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.046 179.63 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -68.39 -37.44 80.37 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.103 179.695 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -76.16 -29.66 57.81 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.307 -179.295 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . 0.447 ' OD1' ' O ' ' A' ' 125' ' ' ILE . 2.9 m-20 -74.32 113.33 11.41 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.17 0.509 . . . . 0.0 111.337 -179.067 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 9.5 tp -80.17 -28.31 38.81 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.405 179.804 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 39.2 p-10 -113.26 12.22 18.88 Favored 'General case' 0 N--CA 1.466 0.367 0 N-CA-C 111.729 0.27 . . . . 0.0 111.729 -179.13 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 41.04 39.64 2.1 Favored Glycine 0 CA--C 1.53 1.026 0 C-N-CA 120.484 -0.865 . . . . 0.0 111.379 179.64 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . 0.509 ' OD1' ' N ' ' A' ' 134' ' ' GLY . 49.1 p30 -71.12 -16.19 62.55 Favored 'General case' 0 C--O 1.228 -0.049 0 O-C-N 122.463 -0.433 . . . . 0.0 110.268 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . 0.509 ' N ' ' OD1' ' A' ' 133' ' ' ASP . . . 105.48 -14.0 47.05 Favored Glycine 0 C--N 1.332 0.358 0 N-CA-C 110.311 -1.116 . . . . 0.0 110.311 179.602 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . 0.478 ' N ' ' OD1' ' A' ' 133' ' ' ASP . 28.2 mp0 -132.23 147.91 52.43 Favored 'General case' 0 N--CA 1.448 -0.539 0 CA-C-O 120.743 0.306 . . . . 0.0 110.699 -178.752 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 43.8 t -81.55 119.95 32.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 N-CA-C 108.209 -1.034 . . . . 0.0 108.209 178.69 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 34.7 p30 -95.92 173.8 7.26 Favored 'General case' 0 N--CA 1.467 0.418 0 N-CA-C 110.11 -0.33 . . . . 0.0 110.11 179.776 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 84.6 t80 -53.27 -48.16 68.53 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.461 -0.496 . . . . 0.0 111.149 -178.798 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 80.4 tt0 -57.21 -45.25 83.96 Favored 'General case' 0 C--N 1.333 -0.11 0 CA-C-O 120.998 0.428 . . . . 0.0 110.859 -179.535 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 52.7 mt-10 -70.52 -37.32 74.09 Favored 'General case' 0 C--N 1.319 -0.724 0 C-N-CA 120.063 -0.655 . . . . 0.0 109.674 179.118 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 79.9 t80 -62.6 -56.88 13.79 Favored 'General case' 0 N--CA 1.454 -0.248 0 C-N-CA 120.171 -0.612 . . . . 0.0 109.925 -179.72 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . 0.547 HG13 ' N ' ' A' ' 143' ' ' LYS . 11.8 p -57.35 -44.71 84.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 N-CA-C 109.473 -0.565 . . . . 0.0 109.473 -179.595 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 143' ' ' LYS . . . . . 0.547 ' N ' HG13 ' A' ' 142' ' ' VAL . 65.8 tttm -61.94 -49.14 77.32 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.638 179.201 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 60.0 ttp -62.77 -39.62 94.73 Favored 'General case' 0 CA--C 1.513 -0.445 0 CA-C-O 121.676 0.75 . . . . 0.0 109.353 178.872 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . 0.42 ' O ' HG23 ' A' ' 148' ' ' VAL . 34.9 ttm -62.3 -40.24 95.65 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.103 -0.953 . . . . 0.0 110.064 179.753 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 74.9 mtp -66.07 -41.48 90.7 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.832 -0.347 . . . . 0.0 110.203 179.337 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 25.0 m -54.37 -17.89 3.52 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.579 -179.585 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 148' ' ' VAL . . . . . 0.42 HG23 ' O ' ' A' ' 145' ' ' MET . 98.4 t -55.59 -47.19 79.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.321 -179.326 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 62.1 ttp180 . . . . . 0 C--O 1.218 -0.565 0 CA-C-O 118.091 -0.956 . . . . 0.0 110.481 179.029 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 221' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 234' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 88.9 m-20 . . . . . 0 N--CA 1.493 1.719 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -55.66 -49.96 71.51 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.103 -0.639 . . . . 0.0 110.138 -179.826 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 37.1 tp10 -65.82 -40.73 92.12 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 120.739 -0.384 . . . . 0.0 110.723 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -60.08 -71.0 0.14 Allowed 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.149 -0.686 . . . . 0.0 109.149 179.127 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -48.34 -43.74 33.62 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.619 -0.432 . . . . 0.0 110.446 -179.666 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.472 HD23 ' OH ' ' A' ' 138' ' ' TYR . 57.4 tp -62.79 -45.58 91.97 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.365 -0.534 . . . . 0.0 110.404 179.353 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 62.6 tttp -59.27 -33.73 71.41 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 120.434 -0.507 . . . . 0.0 110.221 179.765 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -68.74 -50.84 47.35 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 109.91 -0.404 . . . . 0.0 109.91 179.622 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -52.51 -47.35 66.7 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.333 -0.547 . . . . 0.0 109.875 179.761 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 32.1 t80 -56.71 -42.28 78.89 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.746 -0.382 . . . . 0.0 110.037 179.13 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.572 ' NZ ' HE22 ' A' ' 96' ' ' GLN . 62.3 tttp -61.1 -33.05 72.74 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.776 -0.369 . . . . 0.0 110.472 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 85.4 t -69.57 -46.4 75.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 C-N-CA 120.518 -0.473 . . . . 0.0 110.667 179.569 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -65.56 -34.44 78.26 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 120.448 -0.501 . . . . 0.0 110.211 179.615 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 41.0 t0 -71.16 60.36 0.27 Allowed 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 120.447 -0.501 . . . . 0.0 110.71 -179.36 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 55.6 mtpt -52.9 -48.19 67.38 Favored 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 120.343 -0.543 . . . . 0.0 110.215 -179.214 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -67.23 -7.71 26.08 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.941 0.4 . . . . 0.0 109.997 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . 0.572 HE22 ' NZ ' ' A' ' 90' ' ' LYS . 16.4 mm100 50.9 28.66 3.88 Favored 'General case' 0 C--N 1.325 -0.494 0 C-N-CA 120.414 -0.514 . . . . 0.0 110.184 -179.605 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 47.4 p30 -86.39 4.7 38.25 Favored 'General case' 0 C--N 1.328 -0.347 0 O-C-N 121.965 -0.459 . . . . 0.0 111.126 -179.156 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 81.02 -7.16 60.49 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 111.221 -0.751 . . . . 0.0 111.221 179.826 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.402 ' CE2' ' ND2' ' A' ' 137' ' ' ASN . 39.2 m-85 -128.67 134.97 48.67 Favored 'General case' 0 N--CA 1.469 0.477 0 N-CA-C 110.203 -0.295 . . . . 0.0 110.203 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 30.4 mt -83.2 127.98 39.19 Favored 'Isoleucine or valine' 0 C--O 1.235 0.308 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 179.037 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 24.9 m -95.13 155.51 16.7 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 116.541 -0.299 . . . . 0.0 110.675 -179.335 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -51.62 -41.88 61.6 Favored 'General case' 0 C--N 1.331 -0.199 0 C-N-CA 120.251 -0.579 . . . . 0.0 110.076 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 79.3 p -60.05 -37.89 81.16 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 120.663 -0.415 . . . . 0.0 110.661 179.673 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 80.3 mt-10 -68.31 -39.05 82.13 Favored 'General case' 0 N--CA 1.448 -0.538 0 C-N-CA 120.448 -0.501 . . . . 0.0 110.463 179.401 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 30.8 tp -62.84 -42.54 99.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.1 0.476 . . . . 0.0 110.134 179.11 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 84.9 mtp180 -60.22 -45.35 93.51 Favored 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 120.211 -0.596 . . . . 0.0 109.861 179.787 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 11.7 t-160 -57.56 -42.64 83.42 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.481 -0.487 . . . . 0.0 109.783 179.436 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 63.2 t -62.94 -45.49 98.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 C-N-CA 120.578 -0.449 . . . . 0.0 110.183 179.023 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . 0.402 ' O ' ' O ' ' A' ' 114' ' ' GLU . 19.4 mmt -60.33 -42.68 96.16 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.549 -0.46 . . . . 0.0 110.157 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 95.7 mt -63.4 -44.03 98.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 179.038 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 26.2 t-20 -62.5 -35.14 78.43 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.698 -0.401 . . . . 0.0 110.074 179.544 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 49.4 mt -72.52 -5.04 34.24 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.864 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 85.37 17.6 62.11 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 110.888 -0.885 . . . . 0.0 110.888 179.754 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . 0.402 ' O ' ' O ' ' A' ' 109' ' ' MET . 97.2 mt-10 -126.9 143.21 51.34 Favored 'General case' 0 N--CA 1.467 0.381 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 179.655 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 18.6 ptmt -139.69 121.36 15.31 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-O 120.76 0.314 . . . . 0.0 110.182 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 48.2 mt -110.15 157.22 19.62 Favored 'General case' 0 N--CA 1.465 0.283 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 8.4 p -69.33 167.05 17.25 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.144 -0.623 . . . . 0.0 109.551 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 97.0 m-20 -62.57 -41.9 99.22 Favored 'General case' 0 C--N 1.332 -0.194 0 C-N-CA 120.417 -0.513 . . . . 0.0 110.777 -179.823 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 -54.58 -37.67 65.79 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.712 -0.395 . . . . 0.0 110.641 179.771 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 -73.04 -48.48 35.72 Favored 'General case' 0 N--CA 1.449 -0.491 0 C-N-CA 120.439 -0.504 . . . . 0.0 110.168 179.021 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 90.6 t -62.72 -47.63 91.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 C-N-CA 120.44 -0.504 . . . . 0.0 109.984 179.743 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -57.96 -36.89 73.21 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.511 -0.476 . . . . 0.0 110.342 179.601 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 83.5 mt-30 -71.6 -36.54 70.86 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.643 -0.423 . . . . 0.0 110.698 179.126 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 26.3 tpp -64.24 -44.68 91.06 Favored 'General case' 0 N--CA 1.448 -0.557 0 C-N-CA 120.788 -0.365 . . . . 0.0 110.302 -179.793 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . 0.431 HG22 ' OD2' ' A' ' 129' ' ' ASP . 12.1 mm -62.57 -48.6 87.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 C-N-CA 120.527 -0.469 . . . . 0.0 110.001 179.279 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -63.33 -43.7 97.01 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.75 179.456 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 81.8 tt0 -68.85 -37.51 79.16 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.915 179.585 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -76.14 -29.59 57.84 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.972 -179.611 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . 0.431 ' OD2' HG22 ' A' ' 125' ' ' ILE . 88.7 m-20 -76.34 118.73 19.33 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 120.403 -0.519 . . . . 0.0 111.37 -178.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 46.6 tp -74.9 -26.34 59.58 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.245 179.675 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . 0.432 ' O ' ' C ' ' A' ' 132' ' ' GLY . 43.7 p-10 -114.35 19.86 15.93 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 121.014 -0.274 . . . . 0.0 111.389 -179.219 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . 0.432 ' C ' ' O ' ' A' ' 131' ' ' ASP . . . 39.65 39.17 1.21 Allowed Glycine 0 CA--C 1.531 1.091 0 C-N-CA 120.28 -0.962 . . . . 0.0 111.369 -179.899 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . 0.556 ' OD1' ' N ' ' A' ' 134' ' ' GLY . 43.8 p-10 -76.91 -18.04 58.55 Favored 'General case' 0 CA--C 1.528 0.098 0 CA-C-N 117.132 0.466 . . . . 0.0 110.312 179.701 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . 0.556 ' N ' ' OD1' ' A' ' 133' ' ' ASP . . . 96.24 -10.29 67.48 Favored Glycine 0 C--N 1.33 0.2 0 N-CA-C 110.269 -1.132 . . . . 0.0 110.269 179.873 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . 0.51 ' N ' ' OD1' ' A' ' 133' ' ' ASP . 17.2 mt-30 -117.84 132.76 56.4 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-O 120.566 0.222 . . . . 0.0 110.403 -179.063 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 98.8 t -82.58 118.51 30.41 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.278 0 N-CA-C 108.671 -0.862 . . . . 0.0 108.671 178.603 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . 0.402 ' ND2' ' CE2' ' A' ' 99' ' ' TYR . 17.9 t-20 -95.79 170.13 9.53 Favored 'General case' 0 N--CA 1.47 0.571 0 N-CA-C 110.019 -0.363 . . . . 0.0 110.019 179.818 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . 0.472 ' OH ' HD23 ' A' ' 85' ' ' LEU . 60.9 t80 -53.14 -46.15 68.7 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.694 -0.402 . . . . 0.0 110.977 -178.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -56.55 -45.73 81.07 Favored 'General case' 0 CA--C 1.517 -0.302 0 C-N-CA 120.688 -0.405 . . . . 0.0 111.177 -179.42 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -69.54 -37.23 76.98 Favored 'General case' 0 C--N 1.313 -1.022 0 C-N-CA 119.993 -0.683 . . . . 0.0 110.111 179.383 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 33.5 t80 -63.5 -56.41 16.29 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 119.998 -0.681 . . . . 0.0 109.777 -179.512 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . 0.502 HG13 ' N ' ' A' ' 143' ' ' LYS . 11.7 p -57.72 -41.98 80.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-O 121.313 0.578 . . . . 0.0 109.971 -179.528 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 143' ' ' LYS . . . . . 0.502 ' N ' HG13 ' A' ' 142' ' ' VAL . 88.7 tttt -63.1 -50.53 70.17 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.564 -0.743 . . . . 0.0 109.688 178.905 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 47.6 ttp -62.96 -38.71 92.17 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.096 -0.705 . . . . 0.0 109.096 178.717 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . 0.416 ' O ' ' N ' ' A' ' 149' ' ' ARG . 56.3 tpp -62.7 -41.02 98.91 Favored 'General case' 0 N--CA 1.443 -0.781 0 CA-C-N 115.367 -0.833 . . . . 0.0 109.573 -179.615 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 3.1 mmt -62.4 -37.89 87.5 Favored 'General case' 0 N--CA 1.452 -0.351 0 N-CA-C 109.896 -0.409 . . . . 0.0 109.896 179.53 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 9.8 m -61.18 -71.48 0.14 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.583 -179.706 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 72.6 t -63.82 -44.83 98.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.344 179.539 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 149' ' ' ARG . . . . . 0.416 ' N ' ' O ' ' A' ' 145' ' ' MET . 62.1 ttp180 . . . . . 0 C--O 1.22 -0.473 0 CA-C-O 117.954 -1.022 . . . . 0.0 110.257 179.83 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 221' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 234' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 . . . . . 0 N--CA 1.49 1.544 0 N-CA-C 110.048 -0.353 . . . . 0.0 110.048 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -55.08 -47.68 74.58 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 120.369 -0.532 . . . . 0.0 109.985 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 37.8 tp10 -66.47 -33.05 74.84 Favored 'General case' 0 N--CA 1.45 -0.45 0 C-N-CA 120.919 -0.312 . . . . 0.0 110.536 -179.857 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -68.76 -70.02 0.29 Allowed 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 178.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 -47.14 -37.67 10.33 Favored 'General case' 0 C--N 1.328 -0.326 0 C-N-CA 120.699 -0.4 . . . . 0.0 110.542 -179.863 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 57.7 tp -62.24 -44.83 95.66 Favored 'General case' 0 C--N 1.332 -0.18 0 C-N-CA 120.365 -0.534 . . . . 0.0 110.223 179.702 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 27.8 tptp -62.86 -37.11 85.58 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 120.455 -0.498 . . . . 0.0 110.264 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 80.3 tt0 -67.38 -52.2 42.88 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 120.563 -0.455 . . . . 0.0 110.091 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -53.27 -43.84 67.76 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 120.553 -0.459 . . . . 0.0 109.808 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 75.6 t80 -56.84 -45.31 82.45 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.981 -0.377 . . . . 0.0 109.981 179.435 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 53.5 mtpt -63.32 -31.26 72.36 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.869 -0.333 . . . . 0.0 110.865 179.217 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 62.1 t -83.2 -24.17 8.2 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 C-N-CA 120.853 -0.339 . . . . 0.0 110.648 179.512 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -69.5 -34.82 74.86 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.7 -0.4 . . . . 0.0 110.829 179.569 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.536 ' OD2' ' N ' ' A' ' 98' ' ' GLY . 39.0 t0 -74.87 83.67 2.18 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 120.455 -0.498 . . . . 0.0 111.193 -178.542 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 64.2 tttp -55.48 -49.42 72.57 Favored 'General case' 0 C--N 1.333 -0.133 0 N-CA-C 109.545 -0.539 . . . . 0.0 109.545 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . 0.429 ' OD2' ' OE2' ' A' ' 104' ' ' GLU . 9.7 m-20 -71.19 -6.7 41.54 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.986 0.422 . . . . 0.0 109.934 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 89.3 mt-30 49.11 33.65 5.08 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.191 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . 0.739 ' ND2' ' H ' ' A' ' 99' ' ' TYR . 0.1 OUTLIER -88.49 -0.1 56.86 Favored 'General case' 0 N--CA 1.463 0.2 0 C-N-CA 120.969 -0.293 . . . . 0.0 111.416 -179.397 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . 0.55 ' N ' HD22 ' A' ' 97' ' ' ASN . . . 89.71 -4.32 83.58 Favored Glycine 0 CA--C 1.526 0.769 0 N-CA-C 111.427 -0.669 . . . . 0.0 111.427 179.649 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.739 ' H ' ' ND2' ' A' ' 97' ' ' ASN . 57.9 m-85 -131.17 137.23 48.89 Favored 'General case' 0 N--CA 1.466 0.344 0 O-C-N 122.81 -0.229 . . . . 0.0 110.443 -179.779 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.407 HD13 HG21 ' A' ' 100' ' ' ILE . 6.9 mt -86.22 127.88 39.88 Favored 'Isoleucine or valine' 0 C--O 1.237 0.421 0 N-CA-C 108.859 -0.793 . . . . 0.0 108.859 178.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . 0.472 ' CB ' HE22 ' A' ' 135' ' ' GLN . 15.2 m -99.38 155.23 17.64 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.539 -179.475 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -52.96 -41.37 64.46 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.289 -0.564 . . . . 0.0 110.079 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 67.0 m -60.17 -42.52 95.14 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 120.795 -0.362 . . . . 0.0 110.768 179.437 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.429 ' OE2' ' OD2' ' A' ' 95' ' ' ASP . 90.4 mt-10 -64.56 -37.95 89.32 Favored 'General case' 0 N--CA 1.442 -0.832 0 C-N-CA 120.653 -0.419 . . . . 0.0 110.199 179.669 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.572 HD13 ' O ' ' A' ' 105' ' ' LEU . 0.2 OUTLIER -63.89 -41.18 97.79 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-O 121.352 0.596 . . . . 0.0 109.942 179.735 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 95.3 mtm-85 -61.37 -45.72 93.2 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 120.371 -0.532 . . . . 0.0 110.127 -179.773 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 10.8 t-80 -57.89 -42.95 85.71 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.57 -0.452 . . . . 0.0 109.787 179.436 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 81.5 t -61.64 -45.93 97.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 C-N-CA 120.646 -0.422 . . . . 0.0 110.058 179.269 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . 0.453 ' O ' ' O ' ' A' ' 114' ' ' GLU . 36.7 mtt -57.67 -40.65 79.84 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.624 -0.43 . . . . 0.0 110.072 -179.761 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 97.1 mt -65.25 -43.2 95.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 C-N-CA 120.539 -0.464 . . . . 0.0 110.091 178.849 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 -62.16 -36.82 83.01 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.371 179.721 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 8.9 mp -75.47 -1.09 22.52 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.079 179.694 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 79.66 15.48 79.44 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 179.858 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . 0.453 ' O ' ' O ' ' A' ' 109' ' ' MET . 97.0 mt-10 -116.46 137.78 51.9 Favored 'General case' 0 N--CA 1.466 0.352 0 N-CA-C 109.875 -0.417 . . . . 0.0 109.875 179.672 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.18 111.48 7.51 Favored 'General case' 0 N--CA 1.47 0.525 0 N-CA-C 109.725 -0.472 . . . . 0.0 109.725 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.561 ' N ' HD12 ' A' ' 116' ' ' LEU . 6.2 mp -105.97 168.19 9.29 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 179.845 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 9.7 p -73.56 161.53 30.24 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.224 -0.59 . . . . 0.0 109.482 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 93.7 m-20 -62.01 -40.41 95.58 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.392 -0.523 . . . . 0.0 110.567 -179.659 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -56.27 -34.96 66.92 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 120.627 -0.429 . . . . 0.0 110.672 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 -73.85 -49.11 26.61 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 120.412 -0.515 . . . . 0.0 110.361 179.131 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 98.6 t -64.41 -44.52 97.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 C-N-CA 120.694 -0.402 . . . . 0.0 110.166 179.527 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -65.42 -41.45 93.55 Favored 'General case' 0 CA--C 1.516 -0.336 0 C-N-CA 120.889 -0.324 . . . . 0.0 110.34 179.392 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 56.8 tt0 -66.39 -43.05 86.95 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.614 -0.434 . . . . 0.0 110.578 179.262 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . 0.406 ' O ' ' N ' ' A' ' 128' ' ' ALA . 64.6 ttp -66.48 -41.19 89.33 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-O 120.91 0.386 . . . . 0.0 110.22 179.19 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 3.0 mm -61.24 -63.92 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 C-N-CA 120.311 -0.556 . . . . 0.0 109.787 179.762 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 16.9 ptmt -53.12 -37.59 61.9 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.627 -178.786 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 82.2 tt0 -73.38 -34.67 65.69 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.688 179.781 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.406 ' N ' ' O ' ' A' ' 124' ' ' MET . . . -69.03 -32.26 71.64 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.791 -0.641 . . . . 0.0 111.143 -179.462 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . 0.56 ' OD2' ' N ' ' A' ' 133' ' ' ASP . 35.0 t70 -75.4 121.95 23.04 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.141 0.496 . . . . 0.0 111.788 -179.055 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 10.2 tp -86.52 -24.81 25.39 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.623 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . 0.44 ' OD1' ' OD2' ' A' ' 129' ' ' ASP . 27.4 p30 -98.68 12.09 36.51 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 111.725 0.268 . . . . 0.0 111.725 -178.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . 0.549 ' N ' ' OD2' ' A' ' 129' ' ' ASP . . . 45.69 23.7 1.01 Allowed Glycine 0 CA--C 1.53 0.999 0 C-N-CA 120.378 -0.915 . . . . 0.0 111.258 179.728 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . 0.56 ' N ' ' OD2' ' A' ' 129' ' ' ASP . 45.2 p-10 -71.68 -16.59 62.25 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 117.043 0.421 . . . . 0.0 110.373 179.636 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . 0.453 ' N ' ' OD1' ' A' ' 133' ' ' ASP . . . 94.55 -5.33 70.22 Favored Glycine 0 N--CA 1.459 0.193 0 N-CA-C 110.205 -1.158 . . . . 0.0 110.205 179.644 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . 0.472 HE22 ' CB ' ' A' ' 101' ' ' SER . 60.8 mm-40 -122.69 142.68 50.43 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-O 120.857 0.36 . . . . 0.0 110.69 -178.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 24.3 t -87.07 115.63 28.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 N-CA-C 108.434 -0.95 . . . . 0.0 108.434 178.512 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 42.3 t30 -91.95 169.68 10.47 Favored 'General case' 0 N--CA 1.467 0.407 0 N-CA-C 110.176 -0.305 . . . . 0.0 110.176 179.359 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 89.1 t80 -50.4 -49.1 55.54 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.724 -0.39 . . . . 0.0 111.112 -178.764 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . 0.429 ' CG ' ' N ' ' A' ' 140' ' ' GLU . 10.5 pt-20 -58.27 -42.04 85.64 Favored 'General case' 0 N--CA 1.456 -0.172 0 CA-C-O 121.034 0.445 . . . . 0.0 110.797 -179.335 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . 0.429 ' N ' ' CG ' ' A' ' 139' ' ' GLU . 57.5 mt-10 -70.55 -38.96 74.24 Favored 'General case' 0 C--N 1.321 -0.651 0 C-N-CA 120.07 -0.652 . . . . 0.0 109.553 179.648 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 74.0 t80 -61.95 -55.5 28.82 Favored 'General case' 0 N--CA 1.455 -0.192 0 C-N-CA 120.051 -0.659 . . . . 0.0 110.307 -179.854 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . 0.483 HG13 ' N ' ' A' ' 143' ' ' LYS . 14.5 p -58.51 -41.26 81.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 -179.756 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 143' ' ' LYS . . . . . 0.483 ' N ' HG13 ' A' ' 142' ' ' VAL . 28.5 tptp -61.78 -49.73 75.2 Favored 'General case' 0 N--CA 1.446 -0.648 0 CA-C-N 115.925 -0.58 . . . . 0.0 109.901 179.217 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 8.1 tmm? -61.67 -37.09 82.82 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.068 -0.716 . . . . 0.0 109.068 178.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 45.5 tpp -64.73 -38.74 92.02 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.021 -0.99 . . . . 0.0 109.555 -179.732 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 146' ' ' MET . . . . . 0.477 ' C ' ' N ' ' A' ' 148' ' ' VAL . 75.6 mmm -64.12 -39.69 94.57 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.938 -0.393 . . . . 0.0 109.938 179.47 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 40.7 m -47.6 -14.25 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.471 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 148' ' ' VAL . . . . . 0.477 ' N ' ' C ' ' A' ' 146' ' ' MET . 40.5 t -76.98 -3.27 5.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.516 179.864 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.219 -0.539 0 CA-C-O 117.968 -1.015 . . . . 0.0 110.318 179.518 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 221' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 234' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 97.3 m-20 . . . . . 0 N--CA 1.492 1.639 0 N-CA-C 109.962 -0.385 . . . . 0.0 109.962 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -54.07 -48.94 70.1 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.261 -0.575 . . . . 0.0 109.928 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 41.8 tp10 -61.24 -30.76 70.65 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 120.82 -0.352 . . . . 0.0 110.594 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -72.22 -66.94 0.59 Allowed 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 178.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 46.8 tp10 -44.68 -42.22 7.37 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.577 -0.449 . . . . 0.0 110.443 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 19.6 mt -62.94 -44.36 96.29 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.299 -0.56 . . . . 0.0 110.475 179.699 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -63.05 -41.5 99.49 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 120.329 -0.548 . . . . 0.0 109.925 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -65.1 -53.89 38.44 Favored 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 120.493 -0.483 . . . . 0.0 109.878 179.75 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -53.4 -47.33 69.63 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 120.434 -0.506 . . . . 0.0 109.73 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 42.7 t80 -56.62 -43.65 80.39 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.808 -0.441 . . . . 0.0 109.808 179.306 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 89.0 tttt -60.96 -33.09 72.66 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 120.742 -0.383 . . . . 0.0 110.577 179.777 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 69.5 t -69.74 -47.78 68.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 C-N-CA 120.407 -0.517 . . . . 0.0 110.962 179.457 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -63.16 -34.01 76.69 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.397 -0.521 . . . . 0.0 110.251 179.851 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.54 ' OD1' ' ND2' ' A' ' 97' ' ' ASN . 41.4 t0 -73.85 59.44 0.68 Allowed 'General case' 0 C--N 1.324 -0.5 0 C-N-CA 120.527 -0.469 . . . . 0.0 110.738 -179.284 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 67.7 mmtt -46.84 -44.74 19.66 Favored 'General case' 0 C--N 1.333 -0.135 0 C-N-CA 120.232 -0.587 . . . . 0.0 110.344 -179.631 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -71.92 -6.98 45.88 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 120.84 -0.344 . . . . 0.0 110.161 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . 0.513 ' N ' ' O ' ' A' ' 93' ' ' ASP . 77.4 mt-30 48.65 34.82 5.4 Favored 'General case' 0 C--N 1.322 -0.595 0 C-N-CA 120.55 -0.46 . . . . 0.0 110.223 -179.801 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . 0.769 ' ND2' ' H ' ' A' ' 99' ' ' TYR . 0.1 OUTLIER -90.46 2.78 55.34 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 120.74 -0.384 . . . . 0.0 111.215 -179.313 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . 0.593 ' N ' HD22 ' A' ' 97' ' ' ASN . . . 87.64 -8.87 75.96 Favored Glycine 0 CA--C 1.524 0.654 0 C-N-CA 120.8 -0.714 . . . . 0.0 111.418 179.593 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.769 ' H ' ' ND2' ' A' ' 97' ' ' ASN . 67.0 m-85 -130.97 135.8 47.96 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 116.673 0.236 . . . . 0.0 110.391 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 20.2 mt -83.44 127.51 39.67 Favored 'Isoleucine or valine' 0 C--O 1.235 0.303 0 N-CA-C 108.86 -0.793 . . . . 0.0 108.86 179.195 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 17.2 m -91.63 157.21 17.1 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.628 -179.315 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -52.15 -42.66 63.56 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 120.257 -0.577 . . . . 0.0 110.091 179.685 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 44.8 t -59.32 -40.21 85.56 Favored 'General case' 0 C--O 1.238 0.478 0 CA-C-O 120.909 0.385 . . . . 0.0 110.531 179.582 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -68.0 -38.56 82.8 Favored 'General case' 0 N--CA 1.448 -0.565 0 O-C-N 121.812 -0.555 . . . . 0.0 110.406 179.069 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.548 ' CD1' ' SD ' ' A' ' 109' ' ' MET . 0.2 OUTLIER -59.55 -40.77 88.35 Favored 'General case' 0 CA--C 1.537 0.458 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 179.642 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 84.2 mtp180 -63.12 -42.44 99.54 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.6 -0.519 . . . . 0.0 109.6 179.48 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . 0.415 ' CD2' HD11 ' A' ' 110' ' ' ILE . 11.1 t-80 -55.33 -32.41 62.48 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 109.57 -0.53 . . . . 0.0 109.57 179.15 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.508 ' O ' HD13 ' A' ' 112' ' ' LEU . 94.5 t -74.09 -44.09 50.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 C-N-CA 120.507 -0.477 . . . . 0.0 110.387 178.597 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . 0.567 ' N ' ' SD ' ' A' ' 109' ' ' MET . 0.0 OUTLIER -62.28 -48.14 81.2 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.291 -0.564 . . . . 0.0 111.296 -179.684 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.702 HD12 ' N ' ' A' ' 111' ' ' ASN . 2.7 pp -65.76 -42.92 93.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 C-N-CA 120.385 -0.526 . . . . 0.0 109.904 179.268 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . 0.702 ' N ' HD12 ' A' ' 110' ' ' ILE . 20.5 t30 -58.8 -33.89 70.87 Favored 'General case' 0 C--N 1.332 -0.157 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 179.881 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.508 HD13 ' O ' ' A' ' 108' ' ' VAL . 7.2 mp -80.18 -1.34 39.98 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.984 179.161 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 83.35 21.33 58.73 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -119.96 136.57 54.48 Favored 'General case' 0 N--CA 1.466 0.359 0 N-CA-C 109.634 -0.506 . . . . 0.0 109.634 179.743 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 31.4 pttt -130.22 112.81 13.71 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-O 120.634 0.254 . . . . 0.0 110.349 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 65.0 mt -109.18 155.25 21.27 Favored 'General case' 0 N--CA 1.466 0.334 0 N-CA-C 109.56 -0.533 . . . . 0.0 109.56 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . 0.405 HG22 ' N ' ' A' ' 118' ' ' ASP . 12.8 m -64.32 160.47 18.79 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.203 -0.599 . . . . 0.0 109.538 -179.763 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . 0.405 ' N ' HG22 ' A' ' 117' ' ' THR . 41.8 t0 -62.47 -35.55 79.68 Favored 'General case' 0 C--O 1.234 0.261 0 C-N-CA 120.475 -0.49 . . . . 0.0 110.467 -179.738 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -64.35 -34.61 78.55 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.688 -0.405 . . . . 0.0 110.646 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -71.26 -45.53 62.97 Favored 'General case' 0 N--CA 1.451 -0.411 0 C-N-CA 120.463 -0.495 . . . . 0.0 110.01 179.272 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 70.5 t -63.25 -49.22 83.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 C-N-CA 120.42 -0.512 . . . . 0.0 110.143 179.706 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -56.37 -36.68 69.11 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.621 -0.432 . . . . 0.0 110.215 179.447 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 59.1 tt0 -67.18 -38.46 85.44 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.569 -0.453 . . . . 0.0 110.472 179.359 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 93.9 mtp -64.35 -41.95 96.49 Favored 'General case' 0 N--CA 1.449 -0.513 0 C-N-CA 120.73 -0.388 . . . . 0.0 110.373 179.83 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 7.3 mm -62.73 -48.85 86.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 N-CA-C 109.761 -0.459 . . . . 0.0 109.761 179.213 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -63.42 -44.52 94.37 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.619 179.611 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 78.4 tt0 -68.07 -37.66 81.53 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.961 179.705 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -75.45 -31.0 60.15 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.21 -179.664 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -77.48 122.77 25.67 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 120.437 -0.505 . . . . 0.0 111.231 -178.607 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 5.8 tt -80.3 -24.17 40.17 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.488 179.82 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . 0.41 ' O ' ' C ' ' A' ' 132' ' ' GLY . 36.4 p30 -111.36 18.15 19.49 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 121.083 -0.247 . . . . 0.0 111.465 -179.086 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . 0.41 ' C ' ' O ' ' A' ' 131' ' ' ASP . . . 40.17 34.78 0.64 Allowed Glycine 0 CA--C 1.531 1.08 0 C-N-CA 120.306 -0.95 . . . . 0.0 111.464 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . 0.553 ' OD1' ' N ' ' A' ' 134' ' ' GLY . 51.2 p-10 -76.45 -18.16 58.93 Favored 'General case' 0 N--CA 1.461 0.123 0 C-N-CA 120.54 -0.464 . . . . 0.0 110.262 179.844 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . 0.553 ' N ' ' OD1' ' A' ' 133' ' ' ASP . . . 96.35 -10.52 67.27 Favored Glycine 0 C--N 1.331 0.263 0 N-CA-C 110.259 -1.136 . . . . 0.0 110.259 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . 0.478 ' N ' ' OD1' ' A' ' 133' ' ' ASP . 12.4 mt-30 -114.88 130.99 57.0 Favored 'General case' 0 N--CA 1.449 -0.516 0 N-CA-C 110.554 -0.165 . . . . 0.0 110.554 -178.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 94.7 t -79.92 121.15 32.71 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.254 0 N-CA-C 108.493 -0.929 . . . . 0.0 108.493 178.857 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . 0.442 ' OD1' ' CE2' ' A' ' 99' ' ' TYR . 57.7 t30 -96.31 164.36 12.68 Favored 'General case' 0 N--CA 1.471 0.625 0 N-CA-C 110.094 -0.336 . . . . 0.0 110.094 -179.864 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . 0.439 ' CE2' HG21 ' A' ' 142' ' ' VAL . 88.0 t80 -46.29 -50.68 15.84 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 120.604 -0.438 . . . . 0.0 111.009 -178.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 82.6 tt0 -58.81 -43.61 90.61 Favored 'General case' 0 CA--C 1.516 -0.357 0 C-N-CA 120.637 -0.425 . . . . 0.0 111.397 -179.172 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -65.37 -42.12 93.09 Favored 'General case' 0 C--N 1.317 -0.812 0 C-N-CA 119.981 -0.688 . . . . 0.0 110.28 179.84 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 49.8 t80 -62.3 -50.33 72.08 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.276 -0.638 . . . . 0.0 109.276 179.333 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . 0.439 HG21 ' CE2' ' A' ' 138' ' ' TYR . 47.7 t -58.85 -45.76 91.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.547 179.648 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 62.7 tttp -61.54 -49.53 76.31 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.782 -0.645 . . . . 0.0 109.83 179.404 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 13.2 tmm? -63.11 -41.07 99.28 Favored 'General case' 0 CA--C 1.51 -0.596 0 CA-C-O 121.549 0.69 . . . . 0.0 109.606 178.696 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 36.1 ttm -69.2 -41.22 77.4 Favored 'General case' 0 N--CA 1.445 -0.709 0 CA-C-N 115.256 -0.884 . . . . 0.0 110.274 -179.79 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 146' ' ' MET . . . . . 0.405 ' N ' ' O ' ' A' ' 142' ' ' VAL . 15.6 mmt -64.88 -39.2 93.17 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.08 179.471 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 33.4 m -55.44 -72.99 0.06 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.275 -179.546 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 78.9 t -67.0 -70.9 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.279 179.55 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 62.4 ttp180 . . . . . 0 C--N 1.326 -0.448 0 CA-C-O 117.914 -1.041 . . . . 0.0 110.522 179.713 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 221' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 234' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 . . . . . 0 N--CA 1.491 1.584 0 N-CA-C 109.879 -0.415 . . . . 0.0 109.879 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -53.92 -48.56 70.06 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 120.37 -0.532 . . . . 0.0 109.898 -179.725 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -58.38 -35.86 72.63 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 120.697 -0.401 . . . . 0.0 110.263 -179.72 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.468 ' OE1' ' N ' ' A' ' 83' ' ' GLU . 57.0 mp0 -72.73 -65.26 0.81 Allowed 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.083 -0.71 . . . . 0.0 109.083 178.327 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -42.85 -46.42 5.27 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.559 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 74.0 mt -61.53 -43.7 98.38 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 120.525 -0.47 . . . . 0.0 110.449 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 36.5 mmtm -63.94 -44.18 93.62 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.331 -0.548 . . . . 0.0 110.446 179.09 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 84.9 tt0 -68.36 -50.44 53.19 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.639 -0.424 . . . . 0.0 110.208 179.57 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -55.48 -48.02 75.22 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.24 -0.437 . . . . 0.0 109.976 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.424 ' CD1' ' C ' ' A' ' 89' ' ' PHE . 29.9 t80 -57.7 -42.34 83.51 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.28 -0.418 . . . . 0.0 109.932 179.547 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 14.3 tptm -61.51 -32.35 72.38 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.805 -179.669 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 77.7 t -68.71 -45.53 81.1 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.299 0 C-N-CA 120.69 -0.404 . . . . 0.0 110.681 179.237 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -66.92 -33.18 75.02 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.494 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 43.9 t0 -73.74 59.62 0.67 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.432 -179.441 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 56.1 mtpt -51.83 -45.64 64.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 109.865 -179.014 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -68.81 -10.25 55.71 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.975 0.417 . . . . 0.0 110.007 -179.495 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 52.54 28.21 5.8 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.506 -179.724 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 37.0 p-10 -86.72 5.25 37.17 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.315 -179.097 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 80.17 -3.92 69.47 Favored Glycine 0 CA--C 1.527 0.788 0 N-CA-C 111.462 -0.655 . . . . 0.0 111.462 179.402 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 38.6 m-85 -131.44 135.56 47.24 Favored 'General case' 0 N--CA 1.468 0.46 0 N-CA-C 110.424 -0.213 . . . . 0.0 110.424 -179.839 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 43.8 mt -84.77 128.9 38.53 Favored 'Isoleucine or valine' 0 C--O 1.237 0.397 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 178.589 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 36.4 t -98.21 159.33 15.01 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.616 -179.175 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -51.84 -41.39 61.78 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.504 -0.478 . . . . 0.0 109.726 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 70.2 m -56.75 -40.72 76.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.015 0.436 . . . . 0.0 110.384 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 92.0 mt-10 -71.84 -38.33 70.16 Favored 'General case' 0 N--CA 1.441 -0.881 0 CA-C-O 120.719 0.295 . . . . 0.0 110.868 179.19 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.571 HD13 ' O ' ' A' ' 105' ' ' LEU . 0.2 OUTLIER -60.34 -44.5 95.46 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 120.987 0.422 . . . . 0.0 110.38 -178.872 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 9.0 ptm180 -69.67 -39.67 76.86 Favored 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 120.312 -0.555 . . . . 0.0 109.84 179.368 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 14.2 t-80 -57.35 -42.76 82.6 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 109.665 -0.495 . . . . 0.0 109.665 179.81 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 57.2 t -65.43 -43.85 94.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.063 179.1 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 11.7 mmt -60.36 -41.98 94.82 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.539 -0.465 . . . . 0.0 110.311 -179.496 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 96.5 mt -65.07 -43.56 95.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.943 0.401 . . . . 0.0 109.99 179.238 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 22.9 t30 -59.95 -33.27 71.7 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.282 179.763 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -83.19 -1.83 53.98 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.063 179.73 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 86.47 20.16 55.11 Favored Glycine 0 N--CA 1.464 0.505 0 N-CA-C 111.109 -0.796 . . . . 0.0 111.109 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 -117.6 130.98 56.73 Favored 'General case' 0 N--CA 1.465 0.294 0 N-CA-C 109.754 -0.462 . . . . 0.0 109.754 179.508 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 8.9 ptmm? -136.38 116.29 13.2 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-O 120.989 0.423 . . . . 0.0 110.624 -179.627 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 1.6 mp -113.79 162.02 16.82 Favored 'General case' 0 N--CA 1.464 0.274 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 24.6 p -70.24 167.29 18.26 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.2 -0.6 . . . . 0.0 109.489 -179.758 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 91.4 m-20 -62.74 -38.93 92.48 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.615 -0.434 . . . . 0.0 110.447 -179.412 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . 0.451 ' OE1' ' N ' ' A' ' 119' ' ' GLU . 58.5 mp0 -63.87 -34.77 78.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.678 179.836 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 65.8 mt-10 -70.82 -47.25 60.46 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.292 179.014 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 87.7 t -64.33 -47.18 90.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 N-CA-C 109.987 -0.375 . . . . 0.0 109.987 179.656 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 80.8 tt0 -57.59 -37.2 72.82 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.784 -0.45 . . . . 0.0 109.784 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 57.2 tt0 -65.21 -42.23 93.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.243 179.432 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 80.2 mmm -65.88 -42.72 89.95 Favored 'General case' 0 N--CA 1.448 -0.571 0 CA-C-O 120.687 0.279 . . . . 0.0 110.722 179.837 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 36.9 mm -63.87 -45.26 97.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 179.804 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 38.4 mmtm -66.66 -42.64 86.3 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.366 -0.834 . . . . 0.0 110.864 179.549 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 80.4 tt0 -70.35 -36.41 74.18 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.839 -179.787 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -77.44 -29.18 52.77 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.349 -179.031 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . 0.437 ' OD1' ' OD1' ' A' ' 133' ' ' ASP . 41.5 t0 -71.35 105.44 3.51 Favored 'General case' 0 CA--C 1.507 -0.683 0 CA-C-O 121.322 0.582 . . . . 0.0 112.058 -179.121 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.536 ' H ' ' CD ' ' A' ' 140' ' ' GLU . 50.9 tp -87.35 -29.14 21.76 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 115.14 -0.936 . . . . 0.0 111.574 179.222 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 36.8 m-20 -79.6 -11.35 59.88 Favored 'General case' 0 N--CA 1.464 0.23 0 C-N-CA 120.887 -0.325 . . . . 0.0 111.668 -178.497 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 70.0 22.31 77.11 Favored Glycine 0 CA--C 1.529 0.933 0 C-N-CA 120.724 -0.751 . . . . 0.0 111.348 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . 0.509 ' O ' ' NE2' ' A' ' 135' ' ' GLN . 38.8 p-10 -89.46 -15.0 34.09 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-N 116.941 0.371 . . . . 0.0 110.555 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 89.37 5.6 72.19 Favored Glycine 0 N--CA 1.46 0.236 0 N-CA-C 110.144 -1.182 . . . . 0.0 110.144 179.402 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . 0.509 ' NE2' ' O ' ' A' ' 133' ' ' ASP . 3.2 mp0 -123.16 144.62 49.23 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-N 115.48 -0.36 . . . . 0.0 110.629 -178.76 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 49.0 t -92.16 109.99 22.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 N-CA-C 108.778 -0.823 . . . . 0.0 108.778 178.689 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . 0.449 ' CG ' ' H ' ' A' ' 138' ' ' TYR . 26.7 t-20 -93.67 175.62 6.67 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 109.975 -0.38 . . . . 0.0 109.975 179.564 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . 0.449 ' H ' ' CG ' ' A' ' 137' ' ' ASN . 76.2 t80 -53.81 -43.21 69.17 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.828 -178.824 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 80.0 tt0 -61.68 -46.59 89.07 Favored 'General case' 0 C--O 1.226 -0.182 0 C-N-CA 120.913 -0.315 . . . . 0.0 110.868 -179.399 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . 0.536 ' CD ' ' H ' ' A' ' 130' ' ' LEU . 65.3 mt-10 -70.63 -37.66 73.82 Favored 'General case' 0 C--N 1.321 -0.635 0 C-N-CA 119.825 -0.75 . . . . 0.0 109.873 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 50.6 t80 -63.79 -54.08 40.84 Favored 'General case' 0 C--O 1.232 0.14 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.601 179.711 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . 0.511 HG13 ' N ' ' A' ' 143' ' ' LYS . 7.0 p -61.01 -43.7 96.67 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.151 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 -179.132 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 143' ' ' LYS . . . . . 0.511 ' N ' HG13 ' A' ' 142' ' ' VAL . 66.5 tttm -60.47 -50.44 73.55 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.938 179.335 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 15.0 tmm? -62.87 -37.79 88.29 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.56 0.695 . . . . 0.0 109.567 179.174 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 43.1 tpp -64.59 -39.94 94.62 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 114.905 -1.043 . . . . 0.0 109.575 179.61 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 88.5 mtp -63.29 -35.15 79.41 Favored 'General case' 0 CA--C 1.52 -0.187 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 179.701 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 25.6 m -58.41 -71.7 0.11 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.576 179.72 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 80.4 t -68.85 -17.99 22.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.511 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 82.8 mtp180 . . . . . 0 C--O 1.221 -0.429 0 CA-C-O 118.038 -0.982 . . . . 0.0 110.569 -179.857 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 221' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 234' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 67.2 t0 . . . . . 0 N--CA 1.491 1.582 0 N-CA-C 109.997 -0.372 . . . . 0.0 109.997 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -46.98 -46.28 21.5 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 120.368 -0.533 . . . . 0.0 109.829 -179.702 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 38.7 tp10 -59.73 -32.26 70.39 Favored 'General case' 0 N--CA 1.45 -0.437 0 C-N-CA 120.866 -0.334 . . . . 0.0 110.348 -179.802 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 80.8 tt0 -75.62 -64.07 1.16 Allowed 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 108.688 -0.856 . . . . 0.0 108.688 178.284 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 83.1 tt0 -45.98 -46.77 16.55 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.063 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 66.7 mt -62.01 -44.68 96.2 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 120.313 -0.555 . . . . 0.0 110.478 179.338 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 89.0 tttt -65.03 -44.36 89.37 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.566 -0.454 . . . . 0.0 110.198 179.356 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 9.4 tm-20 -68.51 -52.6 30.41 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.533 -0.467 . . . . 0.0 110.242 179.645 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -52.18 -42.81 63.76 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.476 ' CD1' HD11 ' A' ' 100' ' ' ILE . 70.8 t80 -58.95 -43.55 91.26 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 109.897 -0.409 . . . . 0.0 109.897 179.094 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -60.4 -32.35 71.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.532 -0.304 . . . . 0.0 110.499 179.689 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 80.7 t -72.32 -41.88 65.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-O 120.897 0.38 . . . . 0.0 110.656 179.07 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -61.52 -35.1 76.77 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.848 -0.341 . . . . 0.0 110.359 -179.479 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.4 ' OD2' ' N ' ' A' ' 98' ' ' GLY . 38.8 t0 -72.75 70.99 0.99 Allowed 'General case' 0 C--N 1.323 -0.545 0 C-N-CA 120.503 -0.479 . . . . 0.0 110.954 -178.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -51.45 -46.41 63.04 Favored 'General case' 0 C--N 1.332 -0.17 0 C-N-CA 120.463 -0.495 . . . . 0.0 109.707 -179.357 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . 0.429 ' OD2' ' OE2' ' A' ' 104' ' ' GLU . 3.7 m-20 -76.99 5.53 7.85 Favored 'General case' 0 CA--C 1.513 -0.462 0 N-CA-C 110.001 -0.37 . . . . 0.0 110.001 -179.833 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 12.4 pt20 37.99 32.31 0.04 OUTLIER 'General case' 0 CA--C 1.531 0.235 0 O-C-N 123.326 0.391 . . . . 0.0 110.815 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . 0.408 ' N ' ' O ' ' A' ' 95' ' ' ASP . 43.7 p-10 -83.9 -5.69 59.27 Favored 'General case' 0 C--N 1.331 -0.208 0 C-N-CA 120.806 -0.358 . . . . 0.0 111.01 -178.424 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . 0.4 ' N ' ' OD2' ' A' ' 93' ' ' ASP . . . 97.91 -7.43 62.81 Favored Glycine 0 CA--C 1.528 0.868 0 N-CA-C 111.342 -0.703 . . . . 0.0 111.342 179.809 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 76.4 m-85 -134.12 138.55 45.3 Favored 'General case' 0 N--CA 1.467 0.419 0 O-C-N 122.789 -0.242 . . . . 0.0 110.418 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.476 HD11 ' CD1' ' A' ' 89' ' ' PHE . 23.8 mt -85.54 128.83 38.82 Favored 'Isoleucine or valine' 0 C--O 1.241 0.613 0 N-CA-C 108.944 -0.761 . . . . 0.0 108.944 179.104 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 30.3 t -96.07 155.3 16.82 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.532 -179.391 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -53.11 -42.66 66.2 Favored 'General case' 0 C--N 1.331 -0.229 0 C-N-CA 120.385 -0.526 . . . . 0.0 109.949 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . 0.403 ' HA ' ' HE ' ' A' ' 106' ' ' ARG . 51.0 m -59.27 -43.12 92.52 Favored 'General case' 0 C--N 1.332 -0.195 0 C-N-CA 120.768 -0.373 . . . . 0.0 110.424 179.711 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.429 ' OE2' ' OD2' ' A' ' 95' ' ' ASP . 89.3 mt-10 -62.81 -38.47 90.84 Favored 'General case' 0 N--CA 1.444 -0.748 0 C-N-CA 120.612 -0.435 . . . . 0.0 110.259 179.574 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.551 HD13 ' O ' ' A' ' 105' ' ' LEU . 0.2 OUTLIER -63.14 -41.55 99.32 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-O 121.259 0.552 . . . . 0.0 110.058 179.743 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.403 ' HE ' ' HA ' ' A' ' 103' ' ' SER . 82.2 mtm180 -63.87 -47.92 78.77 Favored 'General case' 0 C--O 1.22 -0.487 0 C-N-CA 120.403 -0.519 . . . . 0.0 109.857 -179.756 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 46.2 t-80 -51.8 -38.87 57.4 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 179.74 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 69.7 t -63.86 -42.24 95.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 116.22 -0.446 . . . . 0.0 109.827 178.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . 0.571 ' SD ' ' N ' ' A' ' 109' ' ' MET . 0.0 OUTLIER -59.47 -42.97 93.25 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.538 -0.465 . . . . 0.0 110.111 -179.876 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 13.1 mm -63.55 -47.05 93.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 N-CA-C 109.506 -0.554 . . . . 0.0 109.506 179.728 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 8.1 t-20 -58.84 -34.89 72.07 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.774 -0.454 . . . . 0.0 109.774 179.569 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 40.6 mt -77.18 -3.07 37.66 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.919 179.83 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 77.05 17.14 80.06 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 179.789 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -116.11 140.71 49.01 Favored 'General case' 0 N--CA 1.466 0.351 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.428 ' C ' HD12 ' A' ' 116' ' ' LEU . 15.9 pttm -131.31 106.66 8.43 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-O 120.884 0.374 . . . . 0.0 110.028 -179.739 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.577 ' N ' HD12 ' A' ' 116' ' ' LEU . 8.1 mp -95.61 165.95 12.08 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.7 -0.481 . . . . 0.0 109.7 179.798 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 4.2 p -70.34 152.98 43.53 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.253 -0.579 . . . . 0.0 109.552 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 93.5 m-20 -63.18 -41.71 99.26 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.515 -0.474 . . . . 0.0 110.521 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -65.03 -31.23 72.37 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.776 -0.37 . . . . 0.0 110.422 179.859 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 15.6 tp10 -69.57 -43.08 73.59 Favored 'General case' 0 N--CA 1.448 -0.552 0 C-N-CA 120.545 -0.462 . . . . 0.0 109.97 179.142 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 79.1 t -65.49 -45.03 93.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 C-N-CA 120.606 -0.438 . . . . 0.0 109.971 -179.734 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -60.38 -41.61 94.16 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.71 -0.396 . . . . 0.0 110.456 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 83.8 mt-30 -64.93 -41.69 95.32 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 120.671 -0.412 . . . . 0.0 110.685 179.19 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 34.5 ttm -64.64 -42.4 95.48 Favored 'General case' 0 N--CA 1.449 -0.506 0 C-N-CA 120.82 -0.352 . . . . 0.0 110.204 179.798 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 7.1 mm -63.87 -45.77 96.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 121.129 0.49 . . . . 0.0 109.832 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -65.5 -42.84 91.66 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.852 179.113 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 42.3 tp10 -70.27 -36.27 74.31 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.961 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -73.2 -31.08 63.97 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.296 -179.432 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . 0.446 ' OD1' ' OD1' ' A' ' 133' ' ' ASP . 33.8 t0 -69.03 107.83 3.3 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.22 0.533 . . . . 0.0 111.748 -179.126 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.515 ' H ' ' CD ' ' A' ' 140' ' ' GLU . 39.5 tp -87.91 -31.74 19.29 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.589 179.806 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 39.4 m-20 -77.29 -11.51 59.84 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.925 -0.31 . . . . 0.0 111.672 -178.528 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 69.06 30.46 72.06 Favored Glycine 0 CA--C 1.526 0.764 0 C-N-CA 120.407 -0.901 . . . . 0.0 111.358 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . 0.446 ' OD1' ' OD1' ' A' ' 129' ' ' ASP . 37.9 p-10 -100.43 -13.38 18.75 Favored 'General case' 0 N--CA 1.467 0.425 0 CA-C-N 117.115 0.457 . . . . 0.0 110.537 179.79 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 90.08 -2.22 81.29 Favored Glycine 0 N--CA 1.459 0.227 0 N-CA-C 110.205 -1.158 . . . . 0.0 110.205 179.68 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 13.6 mt-30 -113.54 138.12 50.6 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.694 0.283 . . . . 0.0 110.58 -178.867 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 37.4 t -82.67 113.85 22.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 N-CA-C 108.256 -1.016 . . . . 0.0 108.256 178.38 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . 0.416 ' CG ' ' N ' ' A' ' 138' ' ' TYR . 22.7 t-20 -97.02 172.47 7.83 Favored 'General case' 0 N--CA 1.469 0.493 0 N-CA-C 110.116 -0.327 . . . . 0.0 110.116 179.671 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . 0.416 ' N ' ' CG ' ' A' ' 137' ' ' ASN . 88.0 t80 -49.89 -48.65 51.31 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 120.674 -0.41 . . . . 0.0 111.086 -178.686 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 80.7 tt0 -59.28 -45.25 91.73 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.784 -0.366 . . . . 0.0 111.135 -179.738 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . 0.515 ' CD ' ' H ' ' A' ' 130' ' ' LEU . 69.4 mt-10 -68.92 -40.54 78.99 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 120.22 -0.592 . . . . 0.0 110.092 179.622 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 74.7 t80 -60.56 -49.06 79.06 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.136 -0.69 . . . . 0.0 109.136 179.317 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 44.6 t -60.79 -47.28 93.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 179.175 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 65.2 tttm -61.18 -46.68 89.49 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.893 179.752 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 51.9 ttp -62.68 -40.39 96.94 Favored 'General case' 0 CA--C 1.513 -0.474 0 CA-C-O 121.572 0.701 . . . . 0.0 109.31 178.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 37.3 tpp -65.02 -36.42 84.34 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.135 -0.939 . . . . 0.0 109.987 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 146' ' ' MET . . . . . 0.424 ' C ' ' N ' ' A' ' 148' ' ' VAL . 70.5 mtp -63.52 -40.0 95.91 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.985 -0.376 . . . . 0.0 109.985 179.422 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 27.0 m -48.56 -17.21 0.15 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.519 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 148' ' ' VAL . . . . . 0.424 ' N ' ' C ' ' A' ' 146' ' ' MET . 17.5 t -82.9 -4.24 8.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.533 179.844 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 . . . . . 0 C--O 1.219 -0.545 0 CA-C-O 117.904 -1.046 . . . . 0.0 110.413 179.552 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 221' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 234' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 . . . . . 0 N--CA 1.49 1.558 0 N-CA-C 110.082 -0.34 . . . . 0.0 110.082 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -54.41 -48.25 71.82 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 120.19 -0.604 . . . . 0.0 109.997 -179.769 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.421 ' OE1' ' O ' ' A' ' 82' ' ' GLU . 3.4 tm-20 -62.3 -27.92 69.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.922 0.391 . . . . 0.0 110.756 179.746 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -73.0 -67.92 0.53 Allowed 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 109.054 -0.721 . . . . 0.0 109.054 179.773 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -46.7 -43.56 17.97 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.645 -0.422 . . . . 0.0 110.487 -179.124 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.647 ' O ' HD23 ' A' ' 85' ' ' LEU . 1.9 tt -61.48 -44.81 96.43 Favored 'General case' 0 C--N 1.333 -0.134 0 C-N-CA 120.294 -0.562 . . . . 0.0 110.557 179.715 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 34.2 ttmt -60.66 -37.13 80.54 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.345 -0.542 . . . . 0.0 110.532 179.107 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 9.0 tm-20 -68.64 -50.78 48.59 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-O 121.084 0.469 . . . . 0.0 110.265 179.57 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -52.89 -46.77 68.12 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-O 121.332 0.587 . . . . 0.0 110.128 179.572 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 46.4 t80 -56.18 -42.46 77.12 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.203 -0.453 . . . . 0.0 109.999 178.638 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.419 ' HG3' HE22 ' A' ' 96' ' ' GLN . 3.4 ttmp? -60.98 -32.07 71.64 Favored 'General case' 0 CA--C 1.53 0.187 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.478 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 91.1 t -70.18 -46.32 72.57 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.201 0 C-N-CA 120.579 -0.448 . . . . 0.0 110.484 179.848 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.402 ' O ' ' N ' ' A' ' 94' ' ' LYS . 2.7 m-85 -65.5 -34.07 77.4 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.447 -0.501 . . . . 0.0 110.311 -179.745 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 32.9 t0 -69.61 59.24 0.14 Allowed 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.44 -0.504 . . . . 0.0 111.032 -179.625 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.402 ' N ' ' O ' ' A' ' 92' ' ' PHE . 29.1 ttpt -50.6 -47.61 58.08 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.356 -0.538 . . . . 0.0 110.084 -179.136 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . 0.43 ' OD2' ' OE2' ' A' ' 104' ' ' GLU . 4.3 m-20 -69.1 -8.62 46.98 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.159 0.504 . . . . 0.0 110.092 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . 0.419 HE22 ' HG3' ' A' ' 90' ' ' LYS . 42.3 tp60 50.26 33.08 6.85 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.133 0.492 . . . . 0.0 110.088 -179.571 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 35.8 p-10 -93.57 8.61 40.1 Favored 'General case' 0 C--N 1.329 -0.312 0 O-C-N 121.949 -0.469 . . . . 0.0 111.307 -179.062 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 81.01 -7.93 58.57 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 111.293 -0.723 . . . . 0.0 111.293 179.684 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 39.8 m-85 -128.5 134.1 48.61 Favored 'General case' 0 N--CA 1.47 0.532 0 O-C-N 122.741 -0.27 . . . . 0.0 110.302 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 42.8 mt -83.92 125.72 40.19 Favored 'Isoleucine or valine' 0 C--O 1.235 0.31 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 178.765 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 20.0 t -86.23 155.9 20.51 Favored 'General case' 0 N--CA 1.471 0.619 0 CA-C-N 116.596 -0.275 . . . . 0.0 110.456 -179.123 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -52.93 -43.37 66.21 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.212 -0.595 . . . . 0.0 110.121 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . 0.466 ' O ' ' CE1' ' A' ' 107' ' ' HIS . 49.7 m -58.88 -38.49 78.94 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-O 120.982 0.42 . . . . 0.0 110.446 179.388 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.43 ' OE2' ' OD2' ' A' ' 95' ' ' ASP . 93.3 mt-10 -69.14 -38.85 79.03 Favored 'General case' 0 N--CA 1.444 -0.763 0 C-N-CA 120.5 -0.48 . . . . 0.0 110.173 -179.856 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 27.6 tp -62.54 -42.73 99.72 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-O 121.358 0.599 . . . . 0.0 110.283 179.177 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 85.5 mtp180 -57.59 -46.37 84.11 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.356 -0.538 . . . . 0.0 110.28 178.861 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . 0.466 ' CE1' ' O ' ' A' ' 103' ' ' SER . 21.8 m170 -56.34 -41.01 75.39 Favored 'General case' 0 N--CA 1.456 -0.135 0 N-CA-C 109.673 -0.492 . . . . 0.0 109.673 179.608 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 82.5 t -61.78 -47.57 92.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.188 179.3 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . 0.519 ' SD ' ' N ' ' A' ' 109' ' ' MET . 0.0 OUTLIER -58.9 -43.93 91.14 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.469 -0.492 . . . . 0.0 110.121 -179.884 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.606 HG23 ' NZ ' ' A' ' 115' ' ' LYS . 92.6 mt -62.65 -42.76 97.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 C-N-CA 120.436 -0.506 . . . . 0.0 109.993 179.061 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . 0.4 ' OD1' ' C ' ' A' ' 111' ' ' ASN . 19.3 t-20 -64.04 -36.93 85.61 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.092 0.472 . . . . 0.0 109.94 -179.608 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -69.15 -5.51 22.91 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.04 179.846 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 85.02 15.88 66.29 Favored Glycine 0 CA--C 1.526 0.745 0 N-CA-C 110.926 -0.869 . . . . 0.0 110.926 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 19.3 pt-20 -122.16 139.22 54.01 Favored 'General case' 0 N--CA 1.467 0.42 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 179.71 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.606 ' NZ ' HG23 ' A' ' 110' ' ' ILE . 10.8 mttp -130.72 113.8 14.58 Favored 'General case' 0 N--CA 1.467 0.408 0 N-CA-C 109.961 -0.385 . . . . 0.0 109.961 -179.662 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 45.0 mt -108.22 154.99 20.96 Favored 'General case' 0 N--CA 1.464 0.271 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 179.798 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 60.7 p -67.82 165.11 18.17 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.044 -0.662 . . . . 0.0 109.572 -179.515 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -62.38 -39.84 94.51 Favored 'General case' 0 C--N 1.332 -0.164 0 C-N-CA 120.32 -0.552 . . . . 0.0 110.799 -179.791 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -57.29 -36.52 71.15 Favored 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 120.718 -0.393 . . . . 0.0 110.603 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -71.6 -47.79 52.41 Favored 'General case' 0 N--CA 1.448 -0.565 0 C-N-CA 120.611 -0.436 . . . . 0.0 110.202 179.329 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 73.3 t -63.48 -47.11 93.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 C-N-CA 120.628 -0.429 . . . . 0.0 110.054 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 79.2 mt-10 -62.72 -39.54 94.38 Favored 'General case' 0 C--N 1.332 -0.189 0 C-N-CA 120.581 -0.447 . . . . 0.0 110.321 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 10.6 tp-100 -70.34 -38.64 74.9 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 120.604 -0.438 . . . . 0.0 110.607 179.121 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 41.0 tpp -65.07 -41.93 94.61 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-O 120.949 0.404 . . . . 0.0 110.22 -179.109 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . 0.5 ' O ' ' N ' ' A' ' 129' ' ' ASP . 58.1 mt -64.82 -46.21 92.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-O 121.189 0.519 . . . . 0.0 109.93 179.774 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -63.42 -42.57 98.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.522 179.394 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 33.2 tp10 -70.34 -33.01 70.96 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.12 0.486 . . . . 0.0 110.972 178.681 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -85.64 -29.37 24.1 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.791 -179.314 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . 0.5 ' N ' ' O ' ' A' ' 125' ' ' ILE . 35.4 t0 -61.98 93.69 0.05 OUTLIER 'General case' 0 CA--C 1.516 -0.35 0 C-N-CA 120.369 -0.533 . . . . 0.0 111.369 -179.079 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 3.8 tt -72.66 -36.3 67.91 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.443 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . 0.461 ' OD2' ' OE2' ' A' ' 140' ' ' GLU . 27.5 m-20 -76.21 -9.6 58.75 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 120.806 -0.358 . . . . 0.0 111.435 -178.475 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 65.73 30.52 77.46 Favored Glycine 0 CA--C 1.531 1.081 0 C-N-CA 120.185 -1.007 . . . . 0.0 111.374 -179.869 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . 0.468 ' N ' ' OD2' ' A' ' 129' ' ' ASP . 26.7 p-10 -99.61 -10.87 21.49 Favored 'General case' 0 C--N 1.337 0.065 0 O-C-N 122.316 -0.52 . . . . 0.0 110.379 179.679 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 84.37 2.89 88.96 Favored Glycine 0 C--N 1.331 0.28 0 N-CA-C 110.363 -1.095 . . . . 0.0 110.363 179.824 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 10.4 mt-30 -114.34 141.96 46.95 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-O 120.715 0.293 . . . . 0.0 110.571 -179.057 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 11.0 t -90.88 100.64 11.46 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.228 0 N-CA-C 108.429 -0.952 . . . . 0.0 108.429 178.757 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . 0.615 ' H ' ' CG ' ' A' ' 140' ' ' GLU . 61.2 t30 -97.98 -174.46 2.87 Favored 'General case' 0 N--CA 1.467 0.381 0 N-CA-C 110.06 -0.348 . . . . 0.0 110.06 -178.756 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . 0.517 ' CE2' HG21 ' A' ' 142' ' ' VAL . 43.7 t80 -54.71 -47.02 74.24 Favored 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 120.515 -0.474 . . . . 0.0 111.356 -178.804 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -60.7 -52.1 66.54 Favored 'General case' 0 CA--C 1.519 -0.233 0 C-N-CA 120.603 -0.439 . . . . 0.0 111.55 -177.489 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . 0.615 ' CG ' ' H ' ' A' ' 137' ' ' ASN . 0.5 OUTLIER -66.92 -38.69 86.67 Favored 'General case' 0 C--N 1.312 -1.055 0 C-N-CA 120.348 -0.541 . . . . 0.0 110.108 -179.843 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . 0.455 ' O ' ' N ' ' A' ' 145' ' ' MET . 42.0 t80 -62.02 -50.52 71.7 Favored 'General case' 0 C--N 1.334 -0.102 0 N-CA-C 109.036 -0.727 . . . . 0.0 109.036 -179.703 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . 0.517 HG21 ' CE2' ' A' ' 138' ' ' TYR . 24.6 t -60.25 -46.5 94.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 -179.422 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 63.8 tttp -61.83 -49.69 75.29 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.83 -0.623 . . . . 0.0 109.838 179.181 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 48.7 ttp -63.96 -40.4 96.34 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.567 0.699 . . . . 0.0 109.289 179.122 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . 0.455 ' N ' ' O ' ' A' ' 141' ' ' PHE . 29.0 ttm -62.13 -39.32 92.15 Favored 'General case' 0 N--CA 1.442 -0.835 0 CA-C-N 115.198 -0.91 . . . . 0.0 109.706 -179.109 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 78.7 mtp -66.99 -39.81 87.24 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 120.642 -0.423 . . . . 0.0 110.1 179.856 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 98.9 m -55.9 -18.41 8.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.483 -179.592 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 95.5 t -54.19 -47.02 68.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.178 -179.494 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 97.2 mtt180 . . . . . 0 C--O 1.218 -0.597 0 CA-C-O 118.043 -0.98 . . . . 0.0 110.29 179.742 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 221' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 234' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 . . . . . 0 N--CA 1.49 1.574 0 N-CA-C 110.129 -0.323 . . . . 0.0 110.129 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -56.32 -48.66 76.27 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 120.446 -0.502 . . . . 0.0 110.008 -179.861 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 44.9 tp10 -66.45 -33.71 76.3 Favored 'General case' 0 N--CA 1.451 -0.389 0 C-N-CA 120.977 -0.289 . . . . 0.0 110.565 -179.712 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 71.7 mm-40 -58.93 -72.04 0.11 Allowed 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 179.097 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 65.8 mm-40 -45.46 -46.33 13.57 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.686 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.402 HD23 ' O ' ' A' ' 85' ' ' LEU . 0.9 OUTLIER -63.04 -43.03 99.8 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.303 -0.559 . . . . 0.0 109.963 -179.624 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -62.56 -39.15 92.74 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.416 -0.514 . . . . 0.0 109.973 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 81.0 tt0 -69.63 -50.21 46.39 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.612 -0.435 . . . . 0.0 110.325 179.567 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -54.85 -46.87 74.72 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 120.602 -0.439 . . . . 0.0 110.007 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.418 ' CD1' ' C ' ' A' ' 89' ' ' PHE . 27.6 t80 -56.33 -44.27 79.82 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.861 -0.422 . . . . 0.0 109.861 179.606 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 17.3 mmmt -61.84 -30.7 71.02 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.028 179.592 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 70.8 t -71.35 -46.16 66.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 C-N-CA 120.603 -0.439 . . . . 0.0 111.018 179.37 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -66.36 -33.35 75.52 Favored 'General case' 0 CA--C 1.513 -0.479 0 C-N-CA 120.723 -0.391 . . . . 0.0 110.724 -179.701 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.592 ' O ' ' N ' ' A' ' 96' ' ' GLN . 33.8 t0 -81.52 55.81 2.76 Favored 'General case' 0 C--N 1.321 -0.631 0 C-N-CA 120.699 -0.4 . . . . 0.0 111.629 -179.253 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.625 ' NZ ' ' CE1' ' A' ' 107' ' ' HIS . 97.5 mttt -43.06 -36.26 1.56 Allowed 'General case' 0 CA--C 1.53 0.2 0 C-N-CA 120.584 -0.446 . . . . 0.0 110.084 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . 0.422 ' OD1' ' O ' ' A' ' 95' ' ' ASP . 43.4 t0 -68.59 -19.25 64.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.525 179.738 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . 0.592 ' N ' ' O ' ' A' ' 93' ' ' ASP . 87.0 mt-30 54.27 33.03 17.34 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.654 179.862 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . 0.696 ' ND2' ' H ' ' A' ' 99' ' ' TYR . 0.0 OUTLIER -92.32 6.6 46.24 Favored 'General case' 0 N--CA 1.464 0.227 0 C-N-CA 121.052 -0.259 . . . . 0.0 111.111 -179.54 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . 0.43 ' N ' HD22 ' A' ' 97' ' ' ASN . . . 81.88 -3.89 77.63 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 111.459 -0.656 . . . . 0.0 111.459 179.58 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.696 ' H ' ' ND2' ' A' ' 97' ' ' ASN . 40.3 m-85 -133.77 137.11 44.97 Favored 'General case' 0 N--CA 1.467 0.412 0 O-C-N 122.746 -0.267 . . . . 0.0 110.355 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 54.2 mt -87.52 126.84 41.16 Favored 'Isoleucine or valine' 0 C--O 1.235 0.291 0 N-CA-C 108.745 -0.835 . . . . 0.0 108.745 178.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 30.3 m -94.33 163.1 13.57 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.77 -179.026 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -52.91 -43.88 66.56 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.415 -0.514 . . . . 0.0 109.745 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . 0.403 ' HA ' ' HE ' ' A' ' 106' ' ' ARG . 66.0 m -58.12 -38.51 76.65 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 120.87 -0.332 . . . . 0.0 110.363 179.61 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -76.2 -40.22 52.84 Favored 'General case' 0 N--CA 1.441 -0.916 0 C-N-CA 120.784 -0.367 . . . . 0.0 110.131 179.065 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.575 HD13 ' O ' ' A' ' 105' ' ' LEU . 0.3 OUTLIER -61.42 -47.18 86.93 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-O 121.222 0.534 . . . . 0.0 110.378 -179.453 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.416 ' HG3' ' N ' ' A' ' 107' ' ' HIS . 50.4 ptt85 -64.16 -42.96 96.51 Favored 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 120.487 -0.485 . . . . 0.0 109.86 179.812 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . 0.625 ' CE1' ' NZ ' ' A' ' 94' ' ' LYS . 14.5 t-80 -53.06 -40.65 64.17 Favored 'General case' 0 CA--C 1.521 -0.155 0 N-CA-C 109.557 -0.534 . . . . 0.0 109.557 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 53.2 t -65.11 -40.39 88.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.028 178.72 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 21.7 mmt -61.84 -44.91 95.89 Favored 'General case' 0 C--N 1.332 -0.156 0 C-N-CA 120.41 -0.516 . . . . 0.0 110.337 -179.39 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 2.1 mp -64.22 -44.61 97.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 C-N-CA 120.359 -0.537 . . . . 0.0 109.905 179.283 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -61.8 -34.6 76.2 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.662 -0.496 . . . . 0.0 109.662 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 43.9 mt -76.43 -4.64 43.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.057 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 82.8 17.29 68.22 Favored Glycine 0 CA--C 1.525 0.71 0 N-CA-C 110.706 -0.957 . . . . 0.0 110.706 179.827 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -115.94 133.83 55.61 Favored 'General case' 0 N--CA 1.466 0.345 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 179.682 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.443 ' C ' HD22 ' A' ' 116' ' ' LEU . 12.7 ptpt -132.65 110.29 10.32 Favored 'General case' 0 N--CA 1.47 0.56 0 N-CA-C 110.205 -0.294 . . . . 0.0 110.205 -179.856 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.884 HD22 ' N ' ' A' ' 116' ' ' LEU . 0.9 OUTLIER -108.02 162.38 14.09 Favored 'General case' 0 N--CA 1.468 0.436 0 N-CA-C 109.63 -0.507 . . . . 0.0 109.63 -179.962 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 14.6 p -71.89 163.36 27.97 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -62.29 -38.76 90.6 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.549 -0.461 . . . . 0.0 110.405 -179.647 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -60.99 -33.35 73.11 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 120.77 -0.372 . . . . 0.0 110.702 179.835 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 72.7 mm-40 -73.28 -49.1 29.5 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.567 -0.453 . . . . 0.0 110.477 179.002 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 86.3 t -61.93 -47.81 91.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 C-N-CA 120.587 -0.445 . . . . 0.0 110.076 179.866 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -60.5 -39.31 87.26 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 120.797 -0.361 . . . . 0.0 110.178 179.678 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 69.9 mm-40 -68.68 -41.48 79.18 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.65 -0.42 . . . . 0.0 110.681 179.237 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 59.1 mtt -65.3 -43.14 92.04 Favored 'General case' 0 N--CA 1.445 -0.691 0 C-N-CA 120.709 -0.396 . . . . 0.0 110.769 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . 0.401 HG23 HG23 ' A' ' 136' ' ' VAL . 59.1 mt -64.92 -45.88 93.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 121.309 0.576 . . . . 0.0 109.77 178.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 27.2 mmtp -64.12 -41.68 97.15 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.659 -0.701 . . . . 0.0 110.64 179.524 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 81.3 tt0 -71.84 -33.62 68.61 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.698 179.616 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -83.17 -28.32 29.43 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.859 -179.467 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . 0.435 ' OD1' ' OD1' ' A' ' 133' ' ' ASP . 26.7 t70 -71.5 112.05 7.31 Favored 'General case' 0 CA--C 1.511 -0.55 0 CA-C-O 121.17 0.509 . . . . 0.0 111.789 -179.211 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 8.2 tp -88.8 -24.33 22.63 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.756 -0.657 . . . . 0.0 111.613 179.544 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . 0.438 ' C ' ' H ' ' A' ' 133' ' ' ASP . 50.2 m-20 -82.71 -4.68 58.2 Favored 'General case' 0 C--N 1.331 -0.2 0 C-N-CA 120.979 -0.289 . . . . 0.0 111.756 -178.57 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 67.29 -7.05 1.99 Allowed Glycine 0 CA--C 1.527 0.792 0 C-N-CA 120.421 -0.895 . . . . 0.0 111.386 179.825 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . 0.461 ' OD1' ' N ' ' A' ' 133' ' ' ASP . 30.2 p-10 -65.48 -13.35 58.64 Favored 'General case' 0 C--N 1.333 -0.115 0 C-N-CA 120.645 -0.422 . . . . 0.0 110.157 -179.543 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 80.57 12.39 82.99 Favored Glycine 0 C--N 1.329 0.147 0 N-CA-C 110.513 -1.035 . . . . 0.0 110.513 179.561 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 9.7 mt-30 -112.02 142.69 44.13 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.768 0.318 . . . . 0.0 110.459 -178.845 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . 0.401 HG23 HG23 ' A' ' 125' ' ' ILE . 98.6 t -90.2 105.06 15.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 178.456 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . 0.552 ' ND2' ' CE2' ' A' ' 99' ' ' TYR . 19.9 t-20 -96.84 172.41 7.89 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-O 120.729 0.299 . . . . 0.0 110.233 -179.862 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 30.3 t80 -53.37 -44.52 68.65 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.758 -0.377 . . . . 0.0 110.879 -178.768 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 12.7 tm-20 -60.58 -45.91 92.19 Favored 'General case' 0 C--O 1.223 -0.319 0 C-N-CA 120.815 -0.354 . . . . 0.0 110.946 -179.342 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -71.61 -37.73 70.91 Favored 'General case' 0 C--N 1.317 -0.845 0 C-N-CA 119.936 -0.706 . . . . 0.0 109.882 179.322 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 55.0 t80 -62.69 -54.31 41.18 Favored 'General case' 0 N--CA 1.453 -0.324 0 C-N-CA 120.084 -0.646 . . . . 0.0 110.294 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . 0.532 HG13 ' N ' ' A' ' 143' ' ' LYS . 7.5 p -59.91 -43.94 93.31 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.278 0 CA-C-O 121.357 0.598 . . . . 0.0 109.642 -179.41 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 143' ' ' LYS . . . . . 0.532 ' N ' HG13 ' A' ' 142' ' ' VAL . 20.1 tptm -63.03 -49.27 75.26 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.072 179.872 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 14.2 tmm? -64.52 -37.71 88.49 Favored 'General case' 0 CA--C 1.51 -0.564 0 CA-C-O 121.646 0.736 . . . . 0.0 109.184 178.814 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . 0.56 ' O ' HG13 ' A' ' 148' ' ' VAL . 35.9 tpp -60.47 -35.3 75.56 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 114.898 -1.046 . . . . 0.0 109.268 -179.785 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 146' ' ' MET . . . . . 0.433 ' C ' ' N ' ' A' ' 148' ' ' VAL . 54.1 mmm -74.68 -44.49 49.93 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 120.949 -0.301 . . . . 0.0 110.279 179.104 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 25.3 m -46.15 -18.53 0.05 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.67 -179.279 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 148' ' ' VAL . . . . . 0.56 HG13 ' O ' ' A' ' 145' ' ' MET . 13.0 m -56.04 -43.86 76.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.568 -179.446 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 149' ' ' ARG . . . . . 0.506 ' N ' HG23 ' A' ' 148' ' ' VAL . 75.0 ttt-85 . . . . . 0 C--O 1.219 -0.541 0 CA-C-O 117.954 -1.022 . . . . 0.0 110.208 179.156 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 221' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 234' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_